SCHEMBL17154303

SCHEMBL17154303

C=CCOc1cccc2c(Cl)nccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2A6 P11509 1/20 0.44
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42
SETDB1 Q15047 1/20 0.42
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ATM Q13315 1/20 0.37
LIG1 P18858 1/20 0.37
GCGR P47871 1/20 0.36

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
SCHEMBL3820470 0.83 CYP3A4 (0.57) CYP3A4CYP2A6MAPK1MAPTLMNA
SCHEMBL13729667 0.81 CA12 (0.43) CYP3A4CYP2A6MAPK1MAPTHPGD
SCHEMBL3820950 0.75 HPGD (0.54) CYP3A4CYP2A6MAPK1MAPTLMNA
SCHEMBL6273762 0.75 PLAU (0.59) CYP3A4MAPK1MAPTLMNAAPEX1
SCHEMBL1536330 0.75 PLAU (0.54) CYP3A4MAPK1MAPTLMNAAPEX1
SCHEMBL10426539 0.74 MAPT (0.45) CYP3A4MAPK1MAPTLMNAAPEX1
SCHEMBL5583766 0.74 SETDB1 (0.53) CYP3A4CYP2A6MAPK1MAPTSETDB1
SCHEMBL20554725 0.73 CYP3A4 (0.49) CYP3A4CYP2A6MAPK1MAPTSETDB1
SCHEMBL15814879 0.73 CYP3A4 (0.49) CYP3A4CYP2A6MAPK1MAPTLMNA
SCHEMBL4371294 0.73 HPGD (0.56) CYP3A4CYP2A6MAPK1SETDB1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 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 (1 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-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 CYP3A4 455/4885CYP2A6 473/4885MAPK1 3151/4885

“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.