SCHEMBL6980448

SCHEMBL6980448

O=Cc1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
MAOB P27338 4/20 0.52
MAOA P21397 2/20 0.52
POLB P06746 4/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
XDH P47989 1/20 0.46
PTPN1 P18031 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
RAB9A P51151 2/20 0.44

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
SCHEMBL26605095 0.87 CYP2A6 (0.51) CYP2A6MAOBMAOAPOLBMAPT
SCHEMBL1997538 0.80 MAOB (0.59) MAOBMAOAPOLBCA12CA9
SCHEMBL6984015 0.79 MAOB (0.56) MAOBMAOAPOLBCA12CA9
SCHEMBL7799528 0.79 MAOB (0.56) MAOBMAOAPOLBCA12CA9
SCHEMBL7255773 0.79 MAOB (0.56) MAOBMAOAPOLBCA12CA9
SCHEMBL28399285 0.77 MAOB (0.56) MAOBMAOAPOLBCA12CA9
SCHEMBL5606647 0.76 MAOB (0.49) MAOBMAOAPOLBCA12CA9
SCHEMBL28155728 0.76 MAOB (0.49) MAOBMAOAPOLBCA12CA9
SCHEMBL27509399 0.76 MAOB (0.49) MAOBMAOAPOLBCA12CA9
SCHEMBL266607 0.76 CA12 (0.57) MAOBMAOAPOLBCA12CA9

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
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
EP-2266986-A1 Cytotoxins, Prodrugs, Linkers and Stabilizers useful therefor Medarex, Inc. (US) 2010-12-29 EP disclosed
US-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 US disclosed
US-7507420-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-24 US disclosed
US-7498302-B2 Disulfide prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-03 US disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1294724-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS Pfizer Products Inc. (US) 2003-03-26 EP disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 WO disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
CN-1209063-A Vitronection receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO 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 (3 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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT CYP2A6 2406/4885MAOB 2177/4885MAOA 2223/4885
US-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL CYP2A6 2133/4885MAOB 3029/4885MAOA 2776/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 CYP2A6 208/4885MAOB 2164/4885MAOA 1981/4885

“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.