SCHEMBL2200722

SCHEMBL2200722

CCn1ccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 10/20 0.44
OPRD1 P41143 3/20 0.44
KCNH2 Q12809 2/20 0.44
KCNJ1 P48048 1/20 0.41
TP53 P04637 1/20 0.41
TSPO P30536 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 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
SCHEMBL4336645 0.81 RXRA (0.47) P2RY14OPRD1KCNH2KCNJ1TP53
SCHEMBL4324303 0.79 SMN1; SMN2 (0.53) P2RY14KCNJ1TP53SMN1; SMN2NOTUM
SCHEMBL357612 0.79 P2RY14 (0.50) P2RY14OPRD1KCNH2KCNJ1TP53
SCHEMBL2207270 0.76 KMT2A (0.47) KCNJ1TP53SMN1; SMN2NOTUMMEN1
SCHEMBL4320066 0.76 P2RY14 (0.47) P2RY14OPRD1KCNH2KCNJ1TP53
SCHEMBL4329216 0.76 KMT2A (0.51) P2RY14OPRD1KCNH2KCNJ1TP53
SCHEMBL2205346 0.76 NOTUM (0.54) P2RY14OPRD1KCNH2KCNJ1TP53
SCHEMBL15569573 0.76 NOTUM (0.53) KCNJ1TP53SMN1; SMN2NOTUMMEN1
SCHEMBL2204468 0.76 EPHX2 (0.54) TP53SMN1; SMN2ALDH1A1KMT2AHSD17B10
SCHEMBL3653450 0.76 KCNJ1 (0.43) P2RY14OPRD1KCNH2KCNJ1TP53

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-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R P2RY14 3075/4885OPRD1 1006/4885KCNH2 2534/4885

“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.