SCHEMBL4407574

SCHEMBL4407574

COc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTR7 P34969 1/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 1/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
APP P05067 1/20 0.45
ABCB1 P08183 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL29744326 0.86 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1MAPTHTT
SCHEMBL3192746 0.86 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1MAPTHTT
SCHEMBL4418072 0.86 ABCG2 (0.54) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL1663978 0.85 ALDH1A1 (0.54) ALDH1A1HTR7MAPTLMNAHTT
SCHEMBL11579276 0.84 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL12312144 0.82 PDGFRB (0.57) ALDH1A1HTR7MAPTLMNAHTT
SCHEMBL375109 0.82 MAPT (0.53) ALDH1A1HTR7MAPTLMNAAPP
SCHEMBL1241731 0.81 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL6314467 0.81 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL717794 0.81 MAPT (0.71) ALDH1A1HTR7MAPTLMNAHTT

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 33 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
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 US disclosed
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 US disclosed
US-20040106630-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 US disclosed
US-20040106618-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 US disclosed
US-20040067531-A1 Methods of modulating protein tyrosine kinase function with substituted indolinone compounds SUGEN, INC. 2004-04-08 US disclosed
US-6696463-B2 FOR THERAPY OF CELL PROLIFERATION, DIFFERENTIATION OR GROWTH DISORDERS, CANCER SUGEN, INC. 2004-02-24 US disclosed
US-20020058661-A1 Bioavailability 3-heteroarylidenyl-2-indolinones active as protein tyrosine kinase inhibitors TANG PENG CHO (US) 2002-05-16 US disclosed
US-6350754-B2 ANTICARCINOGENIC AGENTS SUGEN, INC. 2002-02-26 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-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-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 (6 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 ALDH1A1 712/4885HTR7 2502/4885HIF1A 3012/4885
US-20040067531-A1 Methods of modulating protein tyrosine kinase function with substituted indolinone compounds ABL1, LCK, PNCK ALDH1A1 3893/4885HTR7 1021/4885HIF1A 1920/4885
US-20040106618-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 ALDH1A1 3733/4885HTR7 3386/4885HIF1A 3403/4885
US-20020058661-A1 Bioavailability 3-heteroarylidenyl-2-indolinones active as protein tyrosine kinase inhibitors TH, DSTYK, ERBB2 ALDH1A1 1025/4885HTR7 550/4885HIF1A 2297/4885
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 ALDH1A1 2164/4885HTR7 1459/4885HIF1A 2876/4885
US-20040106630-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 ALDH1A1 3733/4885HTR7 3386/4885HIF1A 3403/4885

“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.