SCHEMBL358517

SCHEMBL358517

Cc1ccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
KCNJ1 P48048 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
ADH5 P11766 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL358511 0.88 SRD5A2 (0.48) NOTUMKMT2ASMN1; SMN2ADH5MEN1
SCHEMBL4320052 0.88 NOTUM (0.46) NOTUMKMT2ATSHRKCNJ1TP53
SCHEMBL358760 0.86 NOTUM (0.41) NOTUMKMT2AKCNJ1TP53SMN1; SMN2
SCHEMBL358004 0.86 NOTUM (0.43) NOTUMKMT2ATSHRKCNJ1TP53
SCHEMBL2208219 0.84 KMT2A (0.47) NOTUMKMT2ATSHRTP53SMN1; SMN2
SCHEMBL4331296 0.84 F2 (0.43) NOTUMKMT2AKCNJ1TP53SMN1; SMN2
SCHEMBL357612 0.83 P2RY14 (0.50) NOTUMKMT2ATSHRKCNJ1TP53
SCHEMBL2206805 0.81 NOTUM (0.46) NOTUMKMT2AKCNJ1SMN1; SMN2MEN1
SCHEMBL11968915 0.81 TP53 (0.44) NOTUMKMT2ATSHRKCNJ1TP53
SCHEMBL10243466 0.80 P2RX3 (0.44)

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
EP-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP claimed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP claimed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-9512089-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP disclosed
EP-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-20150065506-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
EP-2570407-A1 Tetrazole-substituted arylamide derivatives and their use as P2x3 and/or P2x2/3 purinergic receptor antagonists F. Hoffmann-La Roche AG (CH) 2013-03-20 EP disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20120015944-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2012-01-19 US disclosed
US-8048905-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-11-01 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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 (9 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 NOTUM 4184/4885KMT2A 1691/4885TSHR 131/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NOTUM 4445/4885KMT2A 2876/4885TSHR 178/4885
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 NOTUM 4356/4885KMT2A 2998/4885TSHR 119/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 NOTUM 4239/4885KMT2A 1652/4885TSHR 132/4885
US-20150065506-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 NOTUM 4356/4885KMT2A 2998/4885TSHR 119/4885
US-20120015944-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 NOTUM 4356/4885KMT2A 2998/4885TSHR 119/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NOTUM 4445/4885KMT2A 2876/4885TSHR 178/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 NOTUM 4445/4885KMT2A 2876/4885TSHR 178/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 NOTUM 4445/4885KMT2A 2876/4885TSHR 178/4885

“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.