SCHEMBL3583375

SCHEMBL3583375

CC(C)(C)c1ccc(-c2nc(C3CCNCC3)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
EP300 Q09472 8/20 0.42
PLAT P00750 4/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
TP53 P04637 1/20 0.38
P2RY14 Q15391 1/20 0.37
CREBBP Q92793 1/20 0.37
USP7 Q93009 1/20 0.36
HTR1D P28221 1/20 0.36
ADRA1A P35348 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL3579579 0.86 HTR2C (0.51) PLATP2RY14KDM4E
SCHEMBL3575940 0.86 PLAT (0.42) GABRA1GABRG2GABRB3EP300PLAT
SCHEMBL13031623 0.86 TNF (0.41) PLATTNFNOD1TP53KDM4E
SCHEMBL3592969 0.82 GFER (0.49) PLATKDM4ENPC1RAB9A
SCHEMBL3591746 0.82 SMN1; SMN2 (0.48) EP300PLATUSP7KDM4ENPC1
SCHEMBL2300164 0.81 HPGDS (0.51) GABRA1PLATKDM4ENPC1RAB9A
SCHEMBL3580251 0.81 MKNK1 (0.49) GABRA1GABRG2GABRB3PLATKDM4E
SCHEMBL3583206 0.81 MEN1 (0.52) GABRA1GABRG2GABRB3KDM4ENPC1
SCHEMBL3587587 0.79 PLAT (0.36) GABRA1GABRG2GABRB3EP300PLAT
SCHEMBL3588162 0.78 PTGS1 (0.41) PLATNISCH

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 3 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
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 GABRA1 333/4885GABRG2 514/4885GABRB3 484/4885

“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.