SCHEMBL3587524

SCHEMBL3587524

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(c2csc(-c3ccc(Br)cc3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.39
CCR5 P51681 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CPT1A P50416 5/20 0.37
CPT2 P23786 1/20 0.37
ENPP2 Q13822 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRMT5 O14744 1/20 0.36
TRPC3 Q13507 2/20 0.35
TRPC7 Q9HCX4 2/20 0.35
MEN1 O00255 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
SCHEMBL2297608 0.92 CCR5 (0.43) CCR5CPT1ACPT2ENPP2LMNA
SCHEMBL3587433 0.91 TRPC3 (0.44) ENPP2LMNATRPC3TRPC7MAPT
SCHEMBL3593203 0.91 CPT1A (0.44) CCR5CPT1ACPT2ENPP2HPGD
SCHEMBL3583534 0.90 ALDH1A1 (0.40) MDM2CCR5CPT1ACPT2TP53
SCHEMBL3590006 0.89 ENPP2 (0.43) MDM2CPT1ACPT2ENPP2LMNA
SCHEMBL3580394 0.88 TRPC3 (0.44) MDM2CPT1ACPT2ENPP2LMNA
SCHEMBL3587938 0.88 GRIN2B (0.40) CCR5CPT1ACPT2ENPP2LMNA
SCHEMBL3591327 0.86 ENPP2 (0.41) CCR5ENPP2LMNAHPGDKDM4E
SCHEMBL3588590 0.85 L3MBTL1 (0.43) CPT1ACPT2ENPP2LMNAHPGD
SCHEMBL3590433 0.84 TRPC3 (0.40) MDM2CPT1ACPT2LMNATP53

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 MDM2 2588/4885CCR5 4/4885HDAC1 1549/4885

“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.