SCHEMBL3781899

SCHEMBL3781899

CCn1ccnc1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
KDM4C Q9H3R0 5/20 0.41
KDM5B Q9UGL1 4/20 0.41
KDM5A P29375 3/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
CTRC Q99895 1/20 0.40
KDM4A O75164 1/20 0.40
ESR1 P03372 1/20 0.40
P2RY14 Q15391 2/20 0.40
FABP1 P07148 1/20 0.40
MAP4K4 O95819 1/20 0.40
PLAA Q9Y263 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
ALPG P10696 1/20 0.39
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

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
SCHEMBL24526536 0.82 SYK (0.41) ESR1PLAAALPG
SCHEMBL13019166 0.81 P2RX3 (0.48)
SCHEMBL13019187 0.81 P2RX3 (0.48)
SCHEMBL4173479 0.80 DHODH (0.47) DHODHKDM4CKDM5BKDM5ARXRA
SCHEMBL27306734 0.79 ESR1 (0.42) ESR1PLAAALDH1A1KDM4EGAA
SCHEMBL3786350 0.79 DHODH (0.46) DHODHKDM4CKDM5BKDM5ARXRA
SCHEMBL13019182 0.79
SCHEMBL16196117 0.77 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL2185503 0.75 DHODH (0.60) DHODHKDM4CKDM5BKDM5ARXRA
SCHEMBL357897 0.74 DHODH (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234981-B1 NOVEL IMIDAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-03-30 EP disclosed
US-7858654-B2 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2010-12-28 US disclosed
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 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 (1 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-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 DHODH 4040/4885KDM4C 2729/4885KDM5B 3312/4885

“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.