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SCHEMBL3529307

SCHEMBL3529307

CC(=O)N1C(=O)C(=C(O)c2ccc(I)cc2)c2ccc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA2 P00918 2/20 0.35
▸ DNM2 P50570 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ PRKAG1 P54619 3/20 0.34
▸ PRKAA2 P54646 3/20 0.34
▸ PRKAB1 Q9Y478 3/20 0.34
▸ MITF O75030 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3529306 1.00 CES1 (0.37) CES1MEN1USP2MAPTCASP1
SCHEMBL3526300 0.92 CES1 (0.40) CES1MEN1KMT2ANOTUMPRKAG1
SCHEMBL3526299 0.92 CES1 (0.40) CES1MEN1KMT2ANOTUMPRKAG1
SCHEMBL3524217 0.87 CES1 (0.37) CES1MEN1USP2MAPTCASP1
SCHEMBL3524218 0.87 CES1 (0.37) CES1MEN1USP2MAPTCASP1
SCHEMBL3527221 0.85 CES1 (0.37) CES1MEN1USP2MAPTCASP1
SCHEMBL3938332 0.85 CES1 (0.37) CES1MEN1MAPTKMT2ANOTUM
SCHEMBL3527219 0.85 CES1 (0.37) CES1MEN1USP2MAPTCASP1
SCHEMBL3938326 0.85 CES1 (0.37) CES1MEN1MAPTKMT2ANOTUM
SCHEMBL3523628 0.85 TRPA1 (0.42) CES1MAPTMITFALDH1A1HSP90AA1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 — — EP disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 — — US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 — — US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 — — US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 — — US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 — — US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 — — US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 — — US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP disclosed
EP-1523473-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-04-20 — — EP disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 — — US disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — WO disclosed
WO-2004009547-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — 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-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR CES1 2759/4885MEN1 1093/4885USP2 4299/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CES1 2176/4885MEN1 1288/4885USP2 4524/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR CES1 2759/4885MEN1 1093/4885USP2 4299/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 CES1 2755/4885MEN1 1347/4885USP2 4400/4885

“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.