SCHEMBL226559

SCHEMBL226559

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BACE1 P56817 1/20 0.37
PDGFRB P09619 2/20 0.36
MMP13 P45452 1/20 0.36
ROCK2 O75116 3/20 0.35
ATM Q13315 1/20 0.35
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
TGM2 P21980 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MMP9 P14780 1/20 0.35
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34
KDR P35968 2/20 0.34
FLT3 P36888 2/20 0.33
AURKA O14965 1/20 0.33
PDGFRA P16234 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL226560 1.00 HDAC3 (0.39) HDAC3HDAC6BACE1PDGFRBMMP13
SCHEMBL228472 0.91 NR1H4 (0.41) HDAC3HDAC6BACE1PDGFRBMMP13
SCHEMBL228471 0.91 NR1H4 (0.41) HDAC3HDAC6BACE1PDGFRBMMP13
SCHEMBL226593 0.87 BACE1 (0.40) BACE1PDGFRBROCK2TGM2MAOA
SCHEMBL226595 0.87 BACE1 (0.40) BACE1PDGFRBROCK2TGM2MAOA
SCHEMBL223439 0.86 BACE1 (0.39) HDAC3HDAC6BACE1PDGFRBROCK2
SCHEMBL223438 0.86 BACE1 (0.39) HDAC3HDAC6BACE1PDGFRBROCK2
SCHEMBL225158 0.85 BACE1 (0.41) HDAC3BACE1PDGFRBROCK2TGM2
SCHEMBL225157 0.85 BACE1 (0.41) HDAC3BACE1PDGFRBROCK2TGM2
SCHEMBL226558 0.85 KDR (0.43) BACE1PDGFRBATMTGM2MAOB

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
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-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US 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 (7 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 HDAC3 680/4885HDAC6 649/4885BACE1 2383/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR HDAC3 3775/4885HDAC6 3580/4885BACE1 2157/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HDAC3 3595/4885HDAC6 3478/4885BACE1 1615/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR HDAC3 3775/4885HDAC6 3580/4885BACE1 2157/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 HDAC3 680/4885HDAC6 649/4885BACE1 2383/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 HDAC3 680/4885HDAC6 649/4885BACE1 2383/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 HDAC3 3624/4885HDAC6 3282/4885BACE1 2291/4885

“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.