SCHEMBL4409756

SCHEMBL4409756

O=C(O)Cc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ABCB1 P08183 5/20 0.48
ABCC1 P33527 4/20 0.48
KCNMA1 Q12791 1/20 0.48
PTGS1 P23219 2/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL2817506 0.85 CYP1A2 (0.51) CYP1A2NPC1RAB9A
SCHEMBL4408882 0.84 CYP1A2 (0.57) CYP1A2ABCB1LMNAMMP1MMP2
SCHEMBL23529914 0.84 CRHBP (0.57) CYP1A2CRHBPCRHR2ABCB1ABCC1
SCHEMBL4405072 0.84 CYP1A2 (0.53) CYP1A2ABCB1FBP1NPC1RAB9A
SCHEMBL16284347 0.82 CRHBP (0.54) CRHBPCRHR2ABCB1ABCC1KCNMA1
SCHEMBL4413254 0.82 RXRA (0.54) CYP1A2LMNAHTTNPC1RAB9A
SCHEMBL5236326 0.81 CRHBP (0.53) CYP1A2CRHBPCRHR2ABCB1ABCC1
SCHEMBL28781440 0.81 PTGS1 (0.62) CYP1A2CRHBPCRHR2ABCB1ABCC1
SCHEMBL4407751 0.80 CYP1A2 (0.52) CYP1A2ABCB1ABCC1LMNAGAA
SCHEMBL74692 0.80 CYP1A2 (0.62) CYP1A2LMNATSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 EP disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 US disclosed
US-7119090-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2006-10-10 US disclosed
US-7071332-B2 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. (US) 2006-07-04 US disclosed
CN-1250526-C Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2006-04-12 CN disclosed
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 US disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 US disclosed
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 US disclosed
US-20040106618-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 US disclosed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 EP disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
US-6051593-A USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN TYROSINE KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-04-18 US disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 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-20040106618-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 CYP1A2 3665/4885CRHBP 1972/4885CRHR2 4155/4885
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 CYP1A2 1124/4885CRHBP 1866/4885CRHR2 3281/4885
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 CYP1A2 3289/4885CRHBP 1099/4885CRHR2 1086/4885

“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.