SCHEMBL4317005

SCHEMBL4317005

Cc1ccc(-c2cc(C(=O)O)cc(-n3cnnn3)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAP4K4 O95819 1/20 0.40
XDH P47989 1/20 0.39
ACLY P53396 1/20 0.39
TSHR P16473 1/20 0.39
F11 P03951 1/20 0.39
KLK1 P06870 1/20 0.39
NOTUM Q6P988 1/20 0.38
CTRC Q99895 1/20 0.38
LMNA P02545 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
SCHEMBL357612 0.76 P2RY14 (0.50) ALDH1A1KMT2ATSHRNOTUMCTRC
SCHEMBL4314626 0.75 CTRC (0.37) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL4314019 0.75 NPC1 (0.41) ALDH1A1NPSR1KMT2AKDM4EMEN1
SCHEMBL4414155 0.74 KMT2A (0.50) ALDH1A1KMT2AMAPTACLYTSHR
SCHEMBL1196404 0.72 KMT2A (0.52) ALDH1A1PKMKMT2APOLBKDM4E
SCHEMBL9468489 0.72 ALDH1A1 (0.76) ALDH1A1NPSR1KMT2ATSHRNOTUM
SCHEMBL15757909 0.71 HSD17B10 (0.55) ALDH1A1NPSR1PKMKMT2APOLB
SCHEMBL16875743 0.70 ACLY (0.52) ALDH1A1NPSR1KMT2APOLBKDM4E
SCHEMBL4320052 0.70 NOTUM (0.46) ALDH1A1NPSR1PKMKMT2ATSHR
SCHEMBL27879680 0.70 ALDH1A1 (0.67) ALDH1A1NPSR1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 4283/4885NPSR1 161/4885PKM 1577/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 ALDH1A1 2080/4885NPSR1 142/4885PKM 2937/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 ALDH1A1 4311/4885NPSR1 155/4885PKM 1691/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 ALDH1A1 2080/4885NPSR1 142/4885PKM 2937/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 ALDH1A1 2080/4885NPSR1 142/4885PKM 2937/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 ALDH1A1 2080/4885NPSR1 142/4885PKM 2937/4885

“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.