SCHEMBL3591746

SCHEMBL3591746

Brc1ccc(-c2nc(C3CCNCC3)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
CYP19A1 P11511 1/20 0.43
PLAT P00750 3/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
USP7 Q93009 2/20 0.39
QPCT Q16769 1/20 0.39
KDM1A O60341 1/20 0.38
EP300 Q09472 1/20 0.38
HPGDS O60760 1/20 0.38
MAPT P10636 4/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL27402146 0.89 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AKDM4ELMNACYP19A1
SCHEMBL3592969 0.85 GFER (0.49) SMN1; SMN2RAB9AKDM4ELMNACYP19A1
SCHEMBL3580251 0.85 MKNK1 (0.49) SMN1; SMN2RAB9AKDM4ELMNACYP19A1
SCHEMBL2300164 0.85 HPGDS (0.51) SMN1; SMN2RAB9AKDM4ELMNACYP19A1
SCHEMBL13031651 0.85 RAB9A (0.50) SMN1; SMN2RAB9AKDM4ELMNACYP19A1
SCHEMBL3573492 0.83 ALDH1A1 (0.43) SMN1; SMN2RAB9ACYP19A1PLATEP300
SCHEMBL3583206 0.82 MEN1 (0.52) SMN1; SMN2RAB9AKDM4ECYP19A1MAPT
SCHEMBL3583375 0.82 GABRA1 (0.43) RAB9AKDM4EPLATUSP7EP300
SCHEMBL3579579 0.82 HTR2C (0.51) KDM4EPLATMEN1KMT2ANPSR1
SCHEMBL3578450 0.77 PLAT (0.45) SMN1; SMN2RAB9APLATHPGDSMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 SMN1; SMN2 4711/4885RAB9A 2780/4885KDM4E 3447/4885

“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.