SCHEMBL3474932

SCHEMBL3474932

Cc1ccc(-c2cc(C(=O)O)cc(-c3ccc(C)cc3C#N)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.40
WNT3A P56704 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM5 P41594 3/20 0.39
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
LDHA P00338 1/20 0.37

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
SCHEMBL2173127 0.91 XDH (0.43) XDHWNT3AGRM5P2RX3P2RX2
SCHEMBL3475703 0.89 LDHA (0.42) XDHWNT3AGRM5LDHA
SCHEMBL1495528 0.85 GRM2 (0.45) XDHGRM2GRM5
SCHEMBL3476174 0.84 GRM5 (0.43) GRM5KDM5AKDM4CKDM5B
SCHEMBL2171221 0.82 SYK (0.44) XDH
SCHEMBL2171763 0.81 XDH (0.46) XDHGRM2
SCHEMBL3474788 0.81 DHODH (0.42) XDHGRM5LDHA
SCHEMBL1495762 0.80 LDHA (0.50) P2RX3P2RX2LDHA
SCHEMBL2188021 0.79 XDH (0.43) XDHWNT3A
SCHEMBL2171975 0.79 P2RX3 (0.48) P2RX3P2RX2

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-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 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-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B XDH 515/4885WNT3A 1920/4885GRM2 93/4885

“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.