SCHEMBL4173620

SCHEMBL4173620

Cc1ccc(-c2cc(C(=O)O)cc(-n3cncn3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 8/20 0.47
DHODH Q02127 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CTRC Q99895 1/20 0.41
FABP1 P07148 1/20 0.40
POLB P06746 1/20 0.39
PDE4B Q07343 1/20 0.39
OPRD1 P41143 2/20 0.39
KCNH2 Q12809 2/20 0.39
TSPO P30536 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL29761880 0.89 KDM4E (0.41) P2RY14POLBOPRD1KCNH2KDM4E
SCHEMBL4171324 0.87 P2RY14 (0.47) P2RY14RXRARXRBCTRCPDE4B
SCHEMBL28265833 0.81 KDM4E (0.44) POLBKDM4EALDH1A1MAPTNR4A1
SCHEMBL357612 0.80 P2RY14 (0.50) P2RY14DHODHRXRARXRBCTRC
SCHEMBL3664158 0.79 DHODH (0.48) P2RY14DHODHRXRARXRBCTRC
Ethylene SCHEMBL28529930 0.78 KDM4E (0.42) POLBKDM4EALDH1A1MAPTNR4A1
SCHEMBL4163607 0.78 DHODH (0.49) P2RY14DHODHRXRARXRBCTRC
SCHEMBL4159688 0.77 P2RY14 (0.47) P2RY14DHODHRXRARXRBCTRC
SCHEMBL2278469 0.77
SCHEMBL7443020 0.77 ADH5 (0.54) KDM4EALDH1A1MAPTHPGD

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-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
EP-2607356-A1 Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists F. Hoffmann-La Roche AG (CH) 2013-06-26 EP disclosed
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-20090170874-A1 Triazole-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 (2 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-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RY14 15/4885DHODH 3983/4885RXRA 656/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 P2RY14 14/4885DHODH 4213/4885RXRA 644/4885

“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.