SCHEMBL4331296

SCHEMBL4331296

Cc1cc(Cl)ccc1-c1cc(C(=O)O)cc(-n2cnnn2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.43
NOTUM Q6P988 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
F11 P03951 2/20 0.41
KLK1 P06870 1/20 0.41
KCNJ1 P48048 1/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADH5 P11766 2/20 0.39

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) F2NOTUMMEN1KMT2AF11
SCHEMBL4320052 0.88 NOTUM (0.46) NOTUMKMT2AALDH1A1KCNJ1TP53
SCHEMBL356937 0.86 NOTUM (0.43) F2NOTUMMEN1KMT2AF11
SCHEMBL2206805 0.86 NOTUM (0.46) F2NOTUMMEN1KMT2AF11
SCHEMBL2205960 0.84 SMN1; SMN2 (0.47) NOTUMMEN1KMT2AALDH1A1KCNJ1
SCHEMBL2206176 0.84 EPHX2 (0.47) KMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL358517 0.84 NOTUM (0.43) F2NOTUMMEN1KMT2AALDH1A1
SCHEMBL2204199 0.83 KMT2A (0.48) MEN1KMT2AALDH1A1F11TP53
SCHEMBL11968915 0.83 TP53 (0.44) NOTUMMEN1KMT2AALDH1A1KCNJ1
SCHEMBL2205346 0.83 NOTUM (0.54) F2NOTUMMEN1KMT2AF11

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 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-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-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 (6 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 F2 3117/4885NOTUM 4184/4885MEN1 3217/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 F2 2884/4885NOTUM 4445/4885MEN1 2900/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 F2 3036/4885NOTUM 4239/4885MEN1 3226/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 F2 2884/4885NOTUM 4445/4885MEN1 2900/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 F2 2884/4885NOTUM 4445/4885MEN1 2900/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 F2 2884/4885NOTUM 4445/4885MEN1 2900/4885

“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.