SCHEMBL4405072

SCHEMBL4405072

COc1cccc(-c2ccc(CC(=O)O)c([N+](=O)[O-])c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
FBP1 P09467 2/20 0.49
ABCB1 P08183 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
EIF4E P06730 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
SLC13A5 Q86YT5 1/20 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
SCHEMBL4408882 0.88 CYP1A2 (0.57) CYP1A2ABCB1MAPTMEN1KMT2A
SCHEMBL4413254 0.88 RXRA (0.54) CYP1A2MAPTMEN1KMT2AALDH1A1
SCHEMBL2436193 0.85 CYP1A2 (0.63) CYP1A2MAPTMEN1KMT2AALDH1A1
SCHEMBL4014665 0.85 CYP1A2 (0.63) CYP1A2MAPTMEN1KMT2AALDH1A1
SCHEMBL4409756 0.84 CYP1A2 (0.65) CYP1A2FBP1ABCB1NPC1RAB9A
SCHEMBL5233562 0.83 NPC1 (0.47) CYP1A2FBP1ABCB1MAPTMEN1
SCHEMBL6225598 0.81 FBP1 (0.55) FBP1ABCB1MAPTEIF4ENPC1
SCHEMBL4407751 0.79 CYP1A2 (0.52) CYP1A2ABCB1ALDH1A1EIF4ENPC1
SCHEMBL6225602 0.79 ABCB1 (0.50) FBP1ABCB1MAPTALDH1A1EIF4E
SCHEMBL4408350 0.78 FBP1 (0.52) FBP1MAPTMEN1KMT2AALDH1A1

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 53 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-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US 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-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 US disclosed
US-7098236-B2 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-08-29 US disclosed
US-7071332-B2 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. (US) 2006-07-04 US disclosed
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-03-23 US disclosed
US-7015220-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-03-21 US disclosed
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 US disclosed
US-20010056094-A1 Anticarcinogenic agents TANG PENG CHO (US) 2001-12-27 US disclosed
WO-2001094312-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-12-13 WO disclosed
US-6316429-B1 ENZYME INHIBITORS MODULATE THE ACTIVITY OF PROTEIN KINASES AND THEREFORE ARE EXPECTED TO BE USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER. SUGEN, INC. 2001-11-13 US disclosed
US-6313158-B1 THERAPY AND PROPHYLAXIS OF CANCER SUGEN, INC. 2001-11-06 US disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 WO disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP 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
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 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 (4 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-20010056094-A1 Anticarcinogenic agents GSTK1, CDC42BPG, GLS CYP1A2 976/4885FBP1 1944/4885ABCB1 924/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 CYP1A2 3652/4885FBP1 2400/4885ABCB1 2905/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 CYP1A2 3652/4885FBP1 2400/4885ABCB1 2905/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 CYP1A2 3652/4885FBP1 2400/4885ABCB1 2905/4885

“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.