SCHEMBL4173479

SCHEMBL4173479

CCn1cnnc1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
MAP3K5 Q99683 1/20 0.43
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
CTRC Q99895 1/20 0.40
P2RY14 Q15391 6/20 0.40
FABP1 P07148 1/20 0.40
OPRD1 P41143 3/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAP4K4 O95819 1/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL3786350 0.81 DHODH (0.46) DHODHRXRARXRBCTRCP2RY14
SCHEMBL2275963 0.81 P2RX3 (0.48)
SCHEMBL3781899 0.80 DHODH (0.47) DHODHRXRARXRBCTRCP2RY14
SCHEMBL357897 0.77 DHODH (0.47) DHODHRXRARXRBCTRCP2RY14
SCHEMBL16196117 0.77 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL4168729 0.76 DHODH (0.46) DHODHRXRARXRBCTRCP2RY14
SCHEMBL1495453 0.73 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL4167902 0.73 SRC (0.54) DHODHCTRCP2RY14OPRD1KDM4E
SCHEMBL3474973 0.71 DHODH (0.59) DHODHRXRARXRBCTRCP2RY14
SCHEMBL357612 0.71 P2RY14 (0.50) DHODHRXRARXRBCTRCP2RY14

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 DHODH 3983/4885MAP3K5 2196/4885RXRA 656/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 DHODH 4213/4885MAP3K5 2032/4885RXRA 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.