SCHEMBL4167902

SCHEMBL4167902

CCn1cc(-c2cc(C(=O)O)cc(-c3ccc(C)cc3)c2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.54
P2RY14 Q15391 3/20 0.48
UCHL5 Q9Y5K5 3/20 0.47
UCHL1 P09936 1/20 0.47
UCHL3 P15374 1/20 0.47
DHODH Q02127 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL2276319 0.81 P2RX3 (0.48) SRC
SCHEMBL14233963 0.80 UCHL5 (0.58) SRCUCHL5UCHL1UCHL3HDAC3
SCHEMBL9137418 0.79 SRC (0.60) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL2272820 0.79
SCHEMBL357897 0.76 DHODH (0.47) P2RY14DHODHNPC1RAB9ACTRC
SCHEMBL16196117 0.76 DHODH (0.70) P2RY14DHODHKDM4ECTRC
SCHEMBL2276173 0.75 P2RX3 (0.63)
SCHEMBL4173479 0.73 DHODH (0.47) P2RY14DHODHKDM4EKDM4COPRD1
SCHEMBL1495453 0.72 DHODH (0.70) P2RY14DHODHKDM4ECTRC
SCHEMBL4168729 0.72 DHODH (0.46) P2RY14DHODHKDM4EKDM4CNPC1

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 SRC 1755/4885P2RY14 15/4885UCHL5 3935/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 SRC 1658/4885P2RY14 14/4885UCHL5 4133/4885

“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.