SCHEMBL3937636

SCHEMBL3937636

Clc1ccc(-c2c[c]on2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.48
KMO O15229 9/20 0.44
CYP1B1 Q16678 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 3/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL28719886 0.84 KMO (0.43) KMO
SCHEMBL1897908 0.78 NOTUM (0.47) KMONPC1RAB9ATP53MAPT
SCHEMBL346163 0.78 NOTUM (0.42) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL27437139 0.76 KMO (0.33) KMONPC1RAB9ANOTUM
SCHEMBL2407790 0.72 CYP1A2 (0.51) CYP1B1NPC1RAB9ATP53MAPT
SCHEMBL28190217 0.71 AHR (0.50) AHRKMOCYP1B1NPC1RAB9A
SCHEMBL11454896 0.71 ALDH1A1 (0.33) MAPTMAPK1L3MBTL1
SCHEMBL9269460 0.70 ESR2 (0.47) KMOTP53MAPTNOTUM
SCHEMBL4307353 0.70 MAPT (0.44) AHRNPC1RAB9ATP53MAPT
SCHEMBL1154499 0.69 MAPT (0.42) NPC1RAB9ATP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (5 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS AHR 3815/4885KMO 4204/4885CYP1B1 1360/4885
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 AHR 510/4885KMO 2293/4885CYP1B1 376/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 AHR 1198/4885KMO 2148/4885CYP1B1 359/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 AHR 510/4885KMO 2293/4885CYP1B1 376/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 AHR 4719/4885KMO 4599/4885CYP1B1 3512/4885

“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.