SCHEMBL611693

SCHEMBL611693

O=C([N]O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.52
CES2 O00748 6/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48

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
SCHEMBL543877 0.80 CES1 (0.55) CES1CES2TSHRALDH1A1DAO
SCHEMBL10443502 0.78 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL1165410 0.78 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL11645892 0.76 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL732449 0.76 TDP1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL826345 0.76 CA2 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL743301 0.76 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL125975 0.76 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL15713087 0.76 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL14040704 0.76 CES1 (0.57) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
JP-6211769-A None JP disclosed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 WO disclosed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
EP-0265247-B1 CYCLOPENTYL ETHERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1990-08-08 EP disclosed
US-4855293-A Anti-inflammatory compositions comprising a systemic non-steroidal anti-inflammatory drug and a cyclopentyl ether GLAXO GROUP LIMITED (GB) 1989-08-08 US disclosed
US-4847369-A ANTIULCER AGENTS; ANTISECRETORY AGENTS GLAXO GROUP LIMITED (GB) 1989-07-11 US disclosed
US-4847255-A Cyclopentyl ethers and their use in medicine GLAXO GROUP LIMITED (GB) 1989-07-11 US disclosed
US-4824993-A SYNTHETIC PROSTAGLANDINS, ANTISECRETORY AGENTS GLAXO GROUP LIMITED (GB) 1989-04-25 US disclosed
EP-0272778-A2 Cyclopentyl ethers and their use in medicine GLAXO GROUP LIMITED (GB) 1988-06-29 EP disclosed
EP-0268388-A1 Anti-inflammatory compositions GLAXO GROUP LIMITED (GB) 1988-05-25 EP disclosed
EP-0265247-A1 Cyclopentyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1988-04-27 EP disclosed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 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 (1 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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A CES1 1619/4885CES2 2632/4885TSHR 359/4885

“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.