SCHEMBL676077

SCHEMBL676077

CS(=O)(=O)O.N#CNC(=NCCO[N+](=O)[O-])c1cccnc1

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
NAMPT P43490 4/20 0.37
POLB P06746 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.35
TBXA2R P21731 2/20 0.35
TBXAS1 P24557 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL676076 1.00 CYP2C19 (0.49) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL29484650 1.00 CYP2C19 (0.49) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL5605989 0.96 MEN1 (0.53) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL6460660 0.96 MEN1 (0.53) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL9601271 0.89 MEN1 (0.51) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL9208882 0.89 MEN1 (0.51) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL9211867 0.82 CYP2C9 (0.38) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL9600959 0.82 CYP2C9 (0.38) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL8750786 0.78 MEN1 (0.34) CYP2C19MEN1KMT2ACYP2C9ALOX15
SCHEMBL8750746 0.78 HDAC1 (0.35) CYP2C19MEN1KMT2ACYP2C9ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374689-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2024-11-14 US disclosed
US-20230080520-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2023-03-16 US disclosed
US-20220175797-A1 OPHTHALMOLOGIC IRRIGATION SOLUTIONS AND METHOD OMEROS CORP (US) 2022-06-09 US disclosed
US-11278595-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2022-03-22 US disclosed
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC 2021-07-08 US disclosed
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2020-12-10 US disclosed
US-10772934-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-09-15 US disclosed
US-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-01-28 US disclosed
US-20180193423-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2018-07-12 US disclosed
US-20180193422-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2018-07-12 US disclosed
WO-2000023066-A2 IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF PAIN AND INFLAMMATION OMEROS MEDICAL SYSTEMS, INC. (US) 2000-04-27 WO disclosed
EP-0910397-A1 VASCULAR IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF PAIN, INFLAMMATION, SPASM AND RESTENOSIS OMEROS MEDICAL SYSTEMS, INC (US) 1999-04-28 EP disclosed
US-5860950-A Arthroscopic irrigation solution and method for inhibition of pain and inflammation OMEROS MEDICAL SYSTEMS, INC. (US) 1999-01-19 US disclosed
US-5858017-A Urologic irrigation solution and method for inhibition of pain, inflammation and spasm OMEROS MEDICAL SYSTEMS, INC. (US) 1999-01-12 US disclosed
US-5820583-A DELIVERING TO WOUND DURING SURGERY A DILUTE SOLUTION OF THE SEROTONIN1A, 1B, 1D, 1F RECEPTOR AGONIST SUMATRIPTAN IN A LIQUID CARRIER OMEROS MEDICAL SYSTEMS, INC. (US) 1998-10-13 US disclosed
US-5800385-A Vascular irrigation solution and method for inhibition of pain, inflammation, spasm and restenosis OMEROS MEDICAL SYSTEMS, INC. (US) 1998-09-01 US disclosed
WO-1997021445-A1 VASCULAR IRRIGATION SOLUTION AND METHOD FOR INHIBITION OF PAIN, INFLAMMATION, SPASM AND RESTENOSIS OMEROS MEDICAL SYSTEMS, INC. (US) 1997-06-19 WO disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180193423-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR CYP2C19 4812/4885MEN1 3103/4885KMT2A 4557/4885
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR CYP2C19 4812/4885MEN1 3103/4885KMT2A 4557/4885
US-20180193422-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR CYP2C19 4765/4885MEN1 3132/4885KMT2A 4625/4885
US-20230080520-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR CYP2C19 4812/4885MEN1 3103/4885KMT2A 4557/4885
US-11278595-B2 Peptides comprising non-natural amino acids and methods of making and using the same APLNR, SCTR, GIPR CYP2C19 4812/4885MEN1 3103/4885KMT2A 4557/4885
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR CYP2C19 4765/4885MEN1 3132/4885KMT2A 4625/4885
US-10772934-B2 Highly active polypeptides and methods of making and using the same SCTR, GIPR, APLNR CYP2C19 4765/4885MEN1 3132/4885KMT2A 4625/4885
US-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same APLNR, SCTR, GIPR CYP2C19 4812/4885MEN1 3103/4885KMT2A 4557/4885
US-20240374689-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR CYP2C19 4765/4885MEN1 3132/4885KMT2A 4625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.