SCHEMBL1647316

SCHEMBL1647316

O=[N+]([O-])c1cc2c(cc1O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL306355 0.96 GPR35 (0.46) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL29847105 0.96 GPR35 (0.46) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL6999559 0.94 GPR35 (0.44) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL6997080 0.94 GPR35 (0.44) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL9452619 0.81 MAPT (0.41) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL14411992 0.80 SIRT6 (0.43) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL24869958 0.79 PNMT (0.54) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL28069542 0.79 PNMT (0.54) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL6197256 0.79 MAPT (0.41) GPR35MAPK1ALDH1A1HPGDTP53
SCHEMBL28027769 0.78 GPR35 (0.44) GPR35MAPK1ALDH1A1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597088-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2017-11-01 EP disclosed
CN-103080094-B P2X4 receptor antagonist NIPPON CHEMIPHAR CO 2015-06-24 CN disclosed
US-8962613-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2015-02-24 US disclosed
CN-103910718-A Bicyclic-substituted pyrazolone azo compounds, and preparation method and use thereof QILU PHARMACEUTICAL CO LTD 2014-07-09 CN disclosed
US-20130172550-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2013-07-04 US disclosed
EP-2597088-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2013-05-29 EP disclosed
CN-103080094-A P2X4 receptor antagonist NIPPON CHEMIPHAR CO 2013-05-01 CN disclosed
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
CN-102060732-A 5-amino-4-hydroxy-N-aryl azelamide derivatives as well as preparation methods and medical applications thereof JIANGSU HENGRUI MEDICINE CO 2011-05-18 CN disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP disclosed
CN-1136203-C Benzoxazine and benzothiazine derivatives and their use in medicine ���ֹɷݹ�˾ 2004-01-28 CN disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
CN-1278802-A Benzoxazine and Benzothiazine derivatives and their use in pharmaceuticals SCHERING AG (DE) 2001-01-03 CN disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
US-5442060-A Treating hyperlipemia, atherosclerosis MITSUBISHI KASEI CORPORATION (JP) 1995-08-15 US disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 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 (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-20130172550-A1 P2X4 RECEPTOR ANTAGONIST P2RX4, P2RX3, P2RX7 GPR35 318/4885MAPK1 734/4885ALDH1A1 2732/4885
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 GPR35 97/4885MAPK1 728/4885ALDH1A1 614/4885

“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.