SCHEMBL4156643

SCHEMBL4156643

Cc1ccc(-c2cc(C(=O)O)cc(-c3ccnn3C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.51
KDM5B Q9UGL1 5/20 0.51
KDM5A P29375 3/20 0.51
KDM4A O75164 1/20 0.51
DHODH Q02127 1/20 0.50
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
CTRC Q99895 1/20 0.43
FABP1 P07148 1/20 0.42
P2RY14 Q15391 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
PORCN Q9H237 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 1/20 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
SCHEMBL4156398 0.83 KDM4C (0.48) KDM4CKDM5BKDM5AKDM4ADHODH
SCHEMBL16196117 0.80 DHODH (0.70) DHODHRXRARXRBCTRCFABP1
SCHEMBL13774513 0.79 P2RX3 (0.52)
SCHEMBL3474973 0.77 DHODH (0.59) DHODHRXRARXRBCTRCFABP1
SCHEMBL3006814 0.77 RXRA (0.47) KDM4CDHODHRXRARXRBKDM2B
SCHEMBL30740531 0.77 KDM5A (0.52) KDM4CKDM5BKDM5AKDM4ARXRA
SCHEMBL940183 0.77 KDM5A (0.52) KDM4CKDM5BKDM5AKDM4ARXRA
SCHEMBL1495453 0.77 DHODH (0.70) DHODHRXRARXRBCTRCFABP1
SCHEMBL3447723 0.77 CYP1A2 (0.54) KDM4CKDM5BKDM5AKDM4APORCN
SCHEMBL13774498 0.76

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 US disclosed
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
EP-2234976-B1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 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 (3 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-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 KDM4C 3491/4885KDM5B 3616/4885KDM5A 3477/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 KDM4C 3491/4885KDM5B 3616/4885KDM5A 3477/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 KDM4C 3491/4885KDM5B 3616/4885KDM5A 3477/4885

“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.