SCHEMBL695228

SCHEMBL695228

O=[N+]([O-])c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
APP P05067 1/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CES1 P23141 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL28669729 1.00 CA1 (0.53) CA1CA2CA12CA9CA14
Water SCHEMBL28670631 0.88 CA1 (0.64) CA1CA2CA12CA9CA14
SCHEMBL28139668 0.85 ALDH1A1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL16031 0.85
SCHEMBL6423919 0.85 CA1 (0.67) CA1CA2CA12CA9CA14
SCHEMBL28198 0.85 CA1 (0.67) CA1CA2CA12CA9CA14
Hydrochloric Acid SCHEMBL1162175 0.83 ALDH1A1 (0.52) CA1CA2CA12CA9CA14
SCHEMBL26682618 0.83 ALDH1A1 (0.52) CA1CA2CA12CA9CA14
SCHEMBL28372761 0.83 ALDH1A1 (0.52) CA1CA2CA12CA9CA14
SCHEMBL27830139 0.83 ALDH1A1 (0.52) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
CN-105189614-A Nanoparticles stabilized with nitrophenylboronic acid compositions CALIFORNIA INST OF TECHN 2015-12-23 CN claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
CN-102459167-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US claimed
US-5719216-A IMPROVING STORAGE STABILITY OF POLYMER-MODIFIED BITUMEN BY ADDING AS COMPATIBILIZING AGENT BIS/NITROARYL/ DISULFIDE AND/OR NITROARYL ARYL DISULFIDE SHELL OIL COMPANY (US) 1998-02-17 US claimed
EP-0756611-A1 PREPARATION PROCESS FOR POLYMER-MODIFIED BITUMEN SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-02-05 EP claimed
WO-1996037545-A1 PREPARATION PROCESS FOR POLYMER-MODIFIED BITUMEN SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1996-11-28 WO claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
EP-0256486-B1 A METHOD OF PRODUCING ALKALI METAL BENZENESULFINATES SEITETSU KAGAKU CO. LTD. (JP) 1990-12-05 EP claimed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 US claimed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 EP claimed
US-3992395-A Process for the preparation of chlorinated phenylhydroxylamines RHONE-POULENC S.A. (FR) 1976-11-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP CA1 4325/4885CA2 2173/4885CA12 2840/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CA1 4624/4885CA2 2746/4885CA12 4272/4885

“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.