SCHEMBL6944548

SCHEMBL6944548

COC(=O)C1Cc2ccccc2C1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM1A O60341 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
CYP2C19 P33261 3/20 0.38
SLC6A3 Q01959 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
Hydrochloric Acid SCHEMBL29087293 0.98 CYP1A2 (0.43) CYP1A2HSD17B10CYP3A4TSHRCYP2D6
Hydrochloric Acid SCHEMBL6951479 0.98 CYP1A2 (0.43) CYP1A2HSD17B10CYP3A4TSHRCYP2D6
Hydrochloric Acid SCHEMBL15608756 0.98 CYP1A2 (0.43) CYP1A2HSD17B10CYP3A4TSHRCYP2D6
SCHEMBL14231685 0.84 PIN1 (0.45) CYP1A2HSD17B10CYP3A4TSHRCYP2D6
SCHEMBL15630770 0.84 EPHX2 (0.37) MAPK1KDM1AMEN1KMT2A
SCHEMBL15630795 0.84 EPHX2 (0.37) MAPK1KDM1AMEN1KMT2A
Hydrochloric Acid SCHEMBL15608910 0.83 IDO1 (0.44) CYP1A2HSD17B10CYP3A4TSHRCYP2D6
Hydrochloric Acid SCHEMBL15608912 0.83 IDO1 (0.44) CYP1A2HSD17B10CYP3A4TSHRCYP2D6
SCHEMBL8269018 0.83 MAPT (0.41) CYP1A2TSHRMAPK1CYP2C19MAPT
SCHEMBL8269016 0.83 MAPT (0.41) CYP1A2TSHRMAPK1CYP2C19MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288414-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
US-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
US-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 US 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 (3 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D CYP1A2 84/4885HSD17B10 1364/4885CYP3A4 74/4885
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 CYP1A2 975/4885HSD17B10 3631/4885CYP3A4 1006/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D CYP1A2 84/4885HSD17B10 1364/4885CYP3A4 74/4885

“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.