SCHEMBL3583206

SCHEMBL3583206

COc1ccc(-c2nc(C3CCNCC3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 3/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
HPGD P15428 1/20 0.47
CYP19A1 P11511 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL13031643 0.86 KDM4E (0.52) KDM4EALDH1A1MAPTRAB9APOLB
SCHEMBL3591746 0.82 SMN1; SMN2 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3592969 0.82 GFER (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2300164 0.81 HPGDS (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3580251 0.81 MKNK1 (0.49) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL3583375 0.81 GABRA1 (0.43) KDM4ERAB9AGABRA1GABRG2GABRB3
SCHEMBL3579579 0.78 HTR2C (0.51) MEN1KMT2AKDM4EPOLBPIM1
SCHEMBL4257174 0.78 RAB9A (0.60) MEN1KMT2AKDM4EALDH1A1MAPT
Bromide SCHEMBL2972856 0.77 NPC1 (0.62) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2225452 0.77 PLAT (0.40) MEN1KMT2AGABRA1GABRG2GABRB3

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 MEN1 4848/4885KMT2A 3866/4885KDM4E 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.