SCHEMBL3587938

SCHEMBL3587938

CC(C)(C)c1ccc(-c2nc(C3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)cs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPC3 Q13507 3/20 0.37
TRPC7 Q9HCX4 3/20 0.37
ENPP2 Q13822 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRMT5 O14744 3/20 0.36
CCR5 P51681 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
CPT1A P50416 2/20 0.35
ACKR3 P25106 1/20 0.35
CPT2 P23786 1/20 0.35

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
SCHEMBL3587927 0.92 ALDH1A1 (0.38) GRIN2BMEN1KMT2ATRPC3TRPC7
SCHEMBL3580394 0.91 TRPC3 (0.44) TRPC3TRPC7ENPP2KDM4ELMNA
SCHEMBL2297608 0.90 CCR5 (0.43) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3590006 0.89 ENPP2 (0.43) GRIN2BTRPC3ENPP2KDM4EALDH1A1
SCHEMBL3587433 0.88 TRPC3 (0.44) TRPC3TRPC7ENPP2LMNA
SCHEMBL3587524 0.88 MDM2 (0.39) MEN1KMT2ATRPC3TRPC7ENPP2
SCHEMBL3593203 0.88 CPT1A (0.44) GRIN2BENPP2KDM4EALDH1A1HPGD
SCHEMBL3591383 0.87 ALDH1A1 (0.37) TRPC3TRPC7ENPP2KDM4EALDH1A1
SCHEMBL3634136 0.87 TRPC3 (0.34) GRIN2BMEN1KMT2ATRPC3TRPC7
SCHEMBL3581546 0.86 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1HPGD

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 2 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
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 GRIN2B 584/4885MEN1 4848/4885KMT2A 3866/4885

“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.