SCHEMBL12201092

SCHEMBL12201092

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 2/20 0.51
MAOB P27338 2/20 0.51
PKM P14618 1/20 0.51
MAOA P21397 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
KDM4E B2RXH2 2/20 0.48
XDH P47989 1/20 0.48
GAA P10253 1/20 0.48
F2 P00734 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
F12 P00748 1/20 0.46

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
SCHEMBL13020889 0.91 ALDH1A1 (0.60) POLBMAPTCASP3SENP7TDP1
SCHEMBL9523960 0.90 MAPT (0.61) MAPTCASP3SENP7TDP1KMT2A
SCHEMBL9523638 0.89 MAPT (0.67) POLBMAPTCASP3SENP7TDP1
SCHEMBL655464 0.83 CA12 (0.56) POLBMAPTKMT2AMAOBMAOA
SCHEMBL23258446 0.80 POLB (0.59) POLBMAPTKMT2AMAOBMAOA
SCHEMBL16943491 0.80 CA12 (0.52) POLBMAPTTDP1KMT2AMAOB
SCHEMBL29592689 0.80 POLB (0.52) POLBMAPTKMT2AMAOBMAOA
SCHEMBL2249264 0.80 POLB (0.52) POLBMAPTKMT2AMAOBMAOA
SCHEMBL654558 0.80 MAOA (0.67) POLBMAPTTDP1KMT2AMAOB
SCHEMBL4001852 0.80 POLB (0.69) POLBMAPTTDP1KMT2AMAOB

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 14 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
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
US-7977465-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2011-07-12 US disclosed
US-7977465-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2011-07-12 US disclosed
EP-2266986-A1 Cytotoxins, Prodrugs, Linkers and Stabilizers useful therefor Medarex, Inc. (US) 2010-12-29 EP disclosed
US-RE41252-E1 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2010-04-20 US disclosed
US-RE41252-E1 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2010-04-20 US disclosed
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR MEDAREX, INC. (US) 2009-08-20 US disclosed
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR MEDAREX, INC. (US) 2009-08-20 US 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-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-7498302-B2 Disulfide prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-03 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 (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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT POLB 3940/4885MAPT 3373/4885CASP3 96/4885
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR VIP, PIN1, PDF POLB 3470/4885MAPT 2764/4885CASP3 593/4885

“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.