SCHEMBL3550642

SCHEMBL3550642

Cc1csc(-c2ccc(=O)[nH]c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
RAB9A P51151 1/20 0.49
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
GLA P06280 1/20 0.39
PDE10A Q9Y233 1/20 0.39
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39

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
SCHEMBL8198560 0.78 CYP3A4 (0.60) KMT2ARAB9ACYP2E1CYP3A4CYP2A6
SCHEMBL10277052 0.76 ALDH1A1 (0.59) RAB9AALDH1A1KDM4E
SCHEMBL7905176 0.76 CYP3A4 (0.58) KMT2ARAB9ACYP2E1CYP3A4CYP2A6
SCHEMBL13680755 0.75 CYP2E1 (0.44) KMT2ARAB9ACYP2E1CYP3A4CYP2A6
SCHEMBL3817082 0.74 CYP19A1 (0.50) KMT2ARAB9AKDM4EMAPTL3MBTL1
SCHEMBL13680627 0.74 CA12 (0.51) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL12180534 0.72 RAB9A (0.59) KMT2ARAB9ACYP2E1CYP3A4CYP2A6
SCHEMBL3435268 0.72 KDM5A (0.35) KMT2ARAB9AALDH1A1KDM4EMAPT
SCHEMBL13681061 0.72 LMNA (0.38) RAB9AALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13680625 0.71 CDC25A (0.56) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KMT2A 1707/4885RAB9A 4401/4885CYP2E1 2548/4885

“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.