Sugi Predict

Sugi Predict / Compounds / SCHEMBL4418072

SCHEMBL4418072

SCHEMBL4418072

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ FBP1 P09467 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MAOB P27338 3/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ VCAM1 P19320 1/20 0.44
▸ VCP P55072 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
SCHEMBL4407574 0.86 ALDH1A1 (0.50) ABCG2RAB9ANPC1ALDH1A1HIF1A
SCHEMBL4404940 0.85 MAPT (0.52) ABCG2RAB9ANPC1ALDH1A1HIF1A
SCHEMBL5237976 0.84 ALDH1A1 (0.54) RAB9ANPC1CASP3SENP7FBP1
SCHEMBL29744326 0.82 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1HIF1AABCB1
SCHEMBL3192746 0.82 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1HIF1AABCB1
SCHEMBL4089081 0.82 MAPT (0.53) RAB9ANPC1CASP3SENP7FBP1
SCHEMBL29655122 0.82 TDP1 (0.65) RAB9ANPC1CASP3SENP7FBP1
SCHEMBL11579276 0.80 ALDH1A1 (0.67) ALDH1A1HIF1AMEN1KMT2ALMNA
SCHEMBL2654598 0.80 ALDH1A1 (0.50) ABCG2RAB9ANPC1FBP1ALDH1A1
SCHEMBL6313832 0.80 ALDH1A1 (0.53) ABCG2FBP1ALDH1A1HIF1AMEN1

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-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
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 ABCG2 392/4885RAB9A 2153/4885NPC1 2345/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ABCG2 3035/4885RAB9A 2631/4885NPC1 4010/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ABCG2 3035/4885RAB9A 2631/4885NPC1 4010/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ABCG2 3035/4885RAB9A 2631/4885NPC1 4010/4885

“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.