SCHEMBL4319484

SCHEMBL4319484

Cc1nnnn1-c1cc(C(=O)O)cc(-c2ccc(Cl)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
BRD4 O60885 2/20 0.39
BRD2 P25440 2/20 0.39
BRD3 Q15059 1/20 0.39
KMO O15229 2/20 0.38
NOTUM Q6P988 1/20 0.38
TP53 P04637 1/20 0.37
FASN P49327 1/20 0.37
GRM2 Q14416 2/20 0.36
PTGER1 P34995 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
APP P05067 1/20 0.36
MARS1 P56192 1/20 0.35
ADH5 P11766 1/20 0.35
EIF4E P06730 1/20 0.35
IDH1 O75874 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4320091 0.89 LMNA (0.41) LMNATP53AKR1C3AKR1C2ADH5
SCHEMBL4314703 0.89 LMNA (0.41) LMNAKMOTP53PTGER1AKR1C3
SCHEMBL4332127 0.86 P2RX3 (0.40) BRD4BRD2BRD3KMOTP53
SCHEMBL4319717 0.86 APP (0.38) BRD4BRD2BRD3KMOTP53
SCHEMBL27769309 0.85 CPB1 (0.42) LMNATP53ALDH1A1KMT2A
SCHEMBL4316170 0.85 NOTUM (0.40) LMNANOTUMTP53FASNGRM2
SCHEMBL4328463 0.85 HSD11B1 (0.39) BRD4BRD2BRD3KMOTP53
SCHEMBL4321368 0.84 P2RY14 (0.45) LMNANOTUMTP53
SCHEMBL10244425 0.83 P2RX3 (0.49)
SCHEMBL10245446 0.83 P2RX3 (0.49)

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 16 patents. 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
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-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 LMNA 3754/4885BRD4 1508/4885BRD2 904/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 LMNA 3928/4885BRD4 1529/4885BRD2 1617/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 LMNA 3750/4885BRD4 1529/4885BRD2 900/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 LMNA 3928/4885BRD4 1529/4885BRD2 1617/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 LMNA 3928/4885BRD4 1529/4885BRD2 1617/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 LMNA 3928/4885BRD4 1529/4885BRD2 1617/4885

“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.