SCHEMBL564622

SCHEMBL564622

CCCCCc1cnc2ccccc2c1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TLR8 Q9NR97 12/20 0.50
TLR7 Q9NYK1 6/20 0.48
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL16836466 0.83 TLR7 (0.49) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL28220550 0.82 KDM4E (0.45) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL6526555 0.81 TLR7 (0.48) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL18270667 0.81 TLR7 (0.51) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL6529277 0.81 TLR7 (0.48) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL2364501 0.77 LOXL2 (0.55) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL5013830 0.76 KDM4E (0.47) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL7849359 0.76 TLR7 (0.43) KDM4EALDH1A1GAAHPGDTLR8
SCHEMBL7850047 0.76 TLR7 (0.43) KDM4EUSP2ALDH1A1GLACYP3A4
SCHEMBL3874057 0.76 TLR8 (0.49) KDM4EUSP2ALDH1A1GLACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-08-02 US claimed
EP-1154771-A4 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-04-20 EP claimed
US-6852739-B1 Methods using proton pump inhibitors and nitric oxide donors NITROMED INC. (US) 2005-02-08 US claimed
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-12-30 US claimed
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 US claimed
JP-2002537336-A 2002-11-05 JP claimed
EP-1154771-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-11-21 EP claimed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 WO claimed
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
EP-2342175-B1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NITROGENIX INC (VG) 2015-05-27 EP disclosed
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 US disclosed
US-20130317094-A1 USE OF ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2013-11-28 US disclosed
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
WO-1992012969-A1 SALTS OF A 4-AMINO-3-ACYL QUINOLINE DERIVATIVE AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-06 WO disclosed
EP-0342775-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-11-23 EP disclosed
EP-0339768-A1 4-Amino-3-acylquinoline derivatives, and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-11-02 EP disclosed
WO-1989008105-A1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 WO disclosed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 EP disclosed
EP-0330485-A1 4-Amino-3-acyl quinoline derivatives and their use as inhibitors of gastric acid secretion SmithKline Beecham Intercredit B.V. (NL) 1989-08-30 EP 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-20130317094-A1 USE OF ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING QSOX1, QARS1, GMPS KDM4E 1551/4885USP2 367/4885ALDH1A1 2300/4885
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NOS1, PTGS1, NOS2 KDM4E 3767/4885USP2 1900/4885ALDH1A1 1299/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 KDM4E 3372/4885USP2 3178/4885ALDH1A1 986/4885
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NOS1, PTGS1, NOS2 KDM4E 3767/4885USP2 1900/4885ALDH1A1 1299/4885
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NOS2, NOS1, PTGS2 KDM4E 3035/4885USP2 134/4885ALDH1A1 1993/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 KDM4E 2671/4885USP2 1296/4885ALDH1A1 1372/4885

“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.