SCHEMBL8043276

SCHEMBL8043276

CNSc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
TSHR P16473 2/20 0.43
HAO1 Q9UJM8 1/20 0.41
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
HPGD P15428 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL18301198 0.75 HAO1 (0.42) ACHETSHRHAO1HPGDMCHR1
SCHEMBL3859718 0.75 HPGD (0.41) ACHETSHRHAO1HPGDMCHR1
SCHEMBL26415371 0.73 TSHR (0.41) TSHRHAO1HPGDALDH1A1MAPT
SCHEMBL8746694 0.73 HSPA5 (0.42) TSHRHPGDALDH1A1CA1CA2
SCHEMBL9059810 0.73 SMN1; SMN2 (0.42) TSHRHAO1HPGDALDH1A1MAPT
SCHEMBL10534681 0.73 HAO1 (0.37) ACHETSHRHAO1HTR1AHTR3A
SCHEMBL30476122 0.73 EPHX1 (0.37) ACHETSHRHAO1HPGDALDH1A1
SCHEMBL5185583 0.73 HAO1 (0.37) ACHETSHRHAO1HPGDMCHR1
Bromide SCHEMBL11705855 0.73 HAO1 (0.41) ACHETSHRHAO1HPGDMCHR1
SCHEMBL57312 0.73 ACHE (0.53) ACHETSHRHAO1HTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
WO-2021081677-A1 CHIRAL GUANIDINES, SALTS THEREOF, METHODS OF MAKING CHIRAL GUANIDINES AND SALTS THEREOF, AND USES OF CHIRAL GUANIDINES AND SALTS THEREOF IN THE PREPARATION OF ENANTIOMERICALLY PURE AMINO ACIDS FU RUI (CA) 2021-05-06 WO disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2009076173-A2 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ACHE 4278/4885TSHR 4469/4885HAO1 3644/4885
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 ACHE 2433/4885TSHR 3020/4885HAO1 4163/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 ACHE 4278/4885TSHR 4469/4885HAO1 3644/4885

“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.