SCHEMBL10162041

SCHEMBL10162041

CCc1cccc(-c2ccsc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.68
CYP2A6 P11509 4/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2E1 P05181 1/20 0.50
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48
BCL2 P10415 1/20 0.47
HTR1A P08908 1/20 0.45
NOTUM Q6P988 1/20 0.43
PTGS2 P35354 1/20 0.43
KCNH2 Q12809 1/20 0.43
IDO1 P14902 1/20 0.42
CTSK P43235 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
PTPRC P08575 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL30340237 1.00 PRMT6 (0.68) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL14304199 0.86 PRMT6 (0.64) PRMT6CYP2A6CYP2B6CYP2E1DRD2
Alcohol SCHEMBL11075986 0.84 PRMT6 (0.62) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL10720757 0.83 PRMT6 (0.60) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL29489424 0.82 BCL2 (0.62) PRMT6CYP2A6BCL2NOTUMPTGS2
SCHEMBL5547358 0.82 BCL2 (0.62) PRMT6CYP2A6BCL2NOTUMPTGS2
SCHEMBL112601 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL9846347 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL4171349 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL9454377 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 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 (6 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 PRMT6 2760/4885CYP2A6 22/4885CYP2B6 13/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PRMT6 2760/4885CYP2A6 22/4885CYP2B6 13/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PRMT6 2760/4885CYP2A6 22/4885CYP2B6 13/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 PRMT6 2561/4885CYP2A6 150/4885CYP2B6 42/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 PRMT6 1141/4885CYP2A6 130/4885CYP2B6 15/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PRMT6 2760/4885CYP2A6 22/4885CYP2B6 13/4885

“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.