SCHEMBL4163607

SCHEMBL4163607

Cc1ccc(-c2cc(C(=O)O)cc(-n3nccn3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.49
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
P2RY14 Q15391 3/20 0.45
CTRC Q99895 1/20 0.45
KDM4C Q9H3R0 3/20 0.44
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
KDM4A O75164 1/20 0.44
FABP1 P07148 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NR4A1 P22736 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAP4K4 O95819 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL20462885 0.81 TPMT (0.55) RXRARXRBKDM4CKDM5AKDM5B
SCHEMBL30050298 0.81 TPMT (0.55) RXRARXRBKDM4CKDM5AKDM5B
SCHEMBL3664158 0.81 DHODH (0.48) DHODHRXRARXRBP2RY14CTRC
SCHEMBL16196117 0.79 DHODH (0.70) DHODHRXRARXRBP2RY14CTRC
SCHEMBL1495453 0.79 DHODH (0.70) DHODHRXRARXRBP2RY14CTRC
SCHEMBL3776905 0.78 DHODH (0.45) DHODHRXRARXRBP2RY14CTRC
SCHEMBL4173620 0.78 P2RY14 (0.47) DHODHRXRARXRBP2RY14CTRC
SCHEMBL3788000 0.78 ADH5 (0.62) DHODHSMN1; SMN2
SCHEMBL3663429 0.78 NOTUM (0.53) DHODHRXRARXRBP2RY14CTRC
SCHEMBL3474973 0.76 DHODH (0.59) DHODHRXRARXRBP2RY14CTRC

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
EP-2225213-B1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-04-29 EP disclosed
EP-2607356-B1 Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists HOFFMANN LA ROCHE (CH) 2015-04-29 EP disclosed
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 3983/4885RXRA 656/4885RXRB 695/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 DHODH 4213/4885RXRA 644/4885RXRB 673/4885

“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.