SCHEMBL3751525

SCHEMBL3751525

O=C1Nc2ccc([N+](=O)[O-])cc2C1=Cc1cccs1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.62
JAK3 P52333 1/20 0.62
GSK3B P49841 4/20 0.61
NOX4 Q9NPH5 1/20 0.58
PDPK1 O15530 1/20 0.57
RET P07949 4/20 0.57
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CAPN9 O14815 1/20 0.53
CASP3 P42574 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NTRK1 P04629 1/20 0.53
APP P05067 2/20 0.52
MAPT P10636 2/20 0.52
SNCA P37840 2/20 0.52
DHFR P00374 1/20 0.51

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
SCHEMBL3751522 1.00 PDGFRB (0.62) PDGFRBJAK3GSK3BNOX4PDPK1
SCHEMBL24967153 0.84 PDPK1 (0.56) PDGFRBJAK3GSK3BNOX4PDPK1
SCHEMBL30155056 0.84 PDPK1 (0.67) PDGFRBJAK3GSK3BNOX4PDPK1
SCHEMBL5988643 0.80 GSK3B (0.43) PDGFRBJAK3GSK3BNOX4PDPK1
SCHEMBL3749912 0.80 PDPK1 (0.62) PDGFRBPDPK1RETCDK2MEN1
SCHEMBL3749915 0.80 PDPK1 (0.62) PDGFRBPDPK1RETCDK2MEN1
SCHEMBL3747230 0.80 NTRK1 (0.65) JAK3PDPK1RETCCNE1CDK2
SCHEMBL3757263 0.80 GSK3B (0.74) PDGFRBJAK3GSK3BNOX4RET
SCHEMBL24967152 0.80 PDPK1 (0.65) PDGFRBJAK3PDPK1RETMEN1
SCHEMBL3757258 0.80 GSK3B (0.74) PDGFRBJAK3GSK3BNOX4RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 US claimed
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 US disclosed
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 US disclosed
US-20060252766-A1 Methods using a combination of 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PFIZER INC 2006-11-09 US disclosed
US-6906093-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2005-06-14 US disclosed
EP-1509224-A1 METHODS USING A COMBINATION OF A 3-HETEROARYL-2-INDOLINONE AND A CYCLOOXYGENASE-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-03-02 EP disclosed
US-6846839-B1 Methods for treating diseases and disorders related to unregulated angiogenesis and/or vasculogenesis SUGEN, INC. (US) 2005-01-25 US disclosed
WO-2003097044-A1 METHODS USING A COMBINATION OF A 3-HETEROARYL-2-INDOLINONE AND A CYCLOOXYGENASE-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2003-11-27 WO disclosed
US-20030176487-A1 3-(4'-Bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease SUGEN, INC. 2003-09-18 US disclosed
US-20030119895-A1 Methods using a combination of a 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PHARMACIA CORPORATION 2003-06-26 US disclosed
US-6225335-B1 MODULATES TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION; FOR THERAPY OF CANCER, ATHEROSCLEROSIS, ARTHRITIS AND RESTENOSIS AND METABOLIC DISEASES SUCH AS DIABETES SUGEN, INC. 2001-05-01 US disclosed
EP-0934931-A2 3-Benzylidene-2-indolinones and their analogues as tyrosine kinase activity modulators Sugen, Inc. (US) 1999-08-11 EP disclosed
US-5886020-A MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE OR INHIBIT ABNORMAL CELL PROLIFERATION SUGEN, INC. (US) 1999-03-23 US disclosed
US-5883113-A TYROSINE KINASE INHIBITORS; ANTIPROLIFERATIVE AND ANTICARCINOGENIC AGENTS; DIABETES, ARTHRITIS, RESTENOSIS, ATHEROSCLEROSIS SUGEN, INC. (US) 1999-03-16 US disclosed
US-5883116-A ANTITUMOR AGENTS AND ENZYME INHIBITORS SUGEN, INC. (US) 1999-03-16 US disclosed
US-5834504-A MODULATING, INHIBITING ABNORMAL CELL PROLIFERATION; ENZYME INHIBITION SUGEN, INC. (US) 1998-11-10 US disclosed
EP-0769947-A4 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN INC (US) 1998-09-30 EP disclosed
US-5792783-A CAPABLE OF MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION SUGEN, INC. (US) 1998-08-11 US disclosed
EP-0769947-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE Sugen, Inc. (US) 1997-05-02 EP disclosed
WO-1996040116-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN, INC. (US) 1996-12-19 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 (5 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-20030176487-A1 3-(4'-Bromobenzylindenyl)-2-indolinone and analogues thereof for the treatment of disease ERBB2, MKI67, ABL1 PDGFRB 325/4885JAK3 97/4885GSK3B 247/4885
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 PDGFRB 2159/4885JAK3 4001/4885GSK3B 69/4885
US-20030119895-A1 Methods using a combination of a 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PTGS2, PTGES2, PTGS1 PDGFRB 1819/4885JAK3 1496/4885GSK3B 957/4885
US-20060252766-A1 Methods using a combination of 3-heteroaryl-2-indolinone and a cyclooxygenase-2 inhibitor for the treatment of neoplasia PTGS2, PTGES2, PTGES3 PDGFRB 2095/4885JAK3 1518/4885GSK3B 972/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT PDGFRB 1439/4885JAK3 3582/4885GSK3B 44/4885

“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.