SCHEMBL3527285

SCHEMBL3527285

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.39
NAMPT P43490 2/20 0.38
HDAC1 Q13547 2/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ROCK2 O75116 5/20 0.36
BACE1 P56817 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP3A4 P08684 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CYP2C19 P33261 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
SCHEMBL3527287 1.00 LSS (0.39) LSSNAMPTHDAC1FPR3FPR2
SCHEMBL226500 0.92 ROCK2 (0.43) LSSNAMPTHDAC1ROCK2BACE1
SCHEMBL226499 0.92 ROCK2 (0.43) LSSNAMPTHDAC1ROCK2BACE1
SCHEMBL4504168 0.90 NAMPT (0.44) NAMPTHDAC1FPR3FPR2ALDH1A1
SCHEMBL3527284 0.89 HDAC1 (0.41) NAMPTHDAC1FPR3FPR2ALDH1A1
SCHEMBL226727 0.88 ALDH1A1 (0.43) LSSHDAC1ALDH1A1ROCK2BACE1
SCHEMBL226726 0.88 ALDH1A1 (0.43) LSSHDAC1ALDH1A1ROCK2BACE1
SCHEMBL228181 0.87 MAPT (0.37) NAMPTHDAC1FPR3FPR2ALDH1A1
SCHEMBL228182 0.87 MAPT (0.37) NAMPTHDAC1FPR3FPR2ALDH1A1
SCHEMBL226482 0.87 LSS (0.41) LSSHDAC1ALDH1A1ROCK2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 US disclosed
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
EP-1835907-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP 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
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US 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

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-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 LSS 2754/4885NAMPT 1186/4885HDAC1 442/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR LSS 3983/4885NAMPT 3351/4885HDAC1 3712/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR LSS 2944/4885NAMPT 3483/4885HDAC1 3369/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR LSS 3983/4885NAMPT 3351/4885HDAC1 3712/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 LSS 2754/4885NAMPT 1186/4885HDAC1 442/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 LSS 3640/4885NAMPT 3477/4885HDAC1 3517/4885

“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.