SCHEMBL3660070

SCHEMBL3660070

Cc1ccc(-c2cc(C(=O)O)cc(C3(C(C)C)N=NN=N3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.45
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
CTRC Q99895 1/20 0.41
P2RY14 Q15391 2/20 0.40
FABP1 P07148 1/20 0.40
SRD5A2 P31213 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAP4K4 O95819 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 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
SCHEMBL16875749 0.85 DHODH (0.39) DHODHRXRARXRBCTRCP2RY14
SCHEMBL16875746 0.85 DHODH (0.39) DHODH
SCHEMBL3657018 0.82 DHODH (0.48) DHODHRXRARXRBCTRCP2RY14
SCHEMBL3660906 0.82 DHODH (0.43) DHODHRXRARXRBCTRCP2RY14
SCHEMBL3659205 0.80 DHODH (0.46) DHODHRXRARXRBCTRCP2RY14
SCHEMBL3658322 0.78 DHODH (0.44) DHODHRXRARXRBCTRCP2RY14
SCHEMBL3657654 0.76 NPC1 (0.36) CTRCNPC1RAB9ASMN1; SMN2
SCHEMBL16196117 0.74 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL1495453 0.74 DHODH (0.70) DHODHRXRARXRBCTRCP2RY14
SCHEMBL7823500 0.71 ALDH1A1 (0.65) 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-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
EP-2234989-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 DHODH 3436/4885RXRA 552/4885RXRB 646/4885

“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.