SCHEMBL225682

SCHEMBL225682

CCCS(=O)(=O)N(CCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
SIRT2 Q8IXJ6 3/20 0.30
SIRT1 Q96EB6 3/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL225681 1.00 KDM4E (0.33) KDM4ENPC1GALR3RAB9AIDO1
SCHEMBL227211 0.92 SIRT2 (0.32) FFAR1FFAR4MEN1ALDH1A1LMNA
SCHEMBL227212 0.92 SIRT2 (0.32) FFAR1FFAR4MEN1ALDH1A1LMNA
SCHEMBL227175 0.92 BACE1 (0.34) KDM4ENPC1GALR3RAB9ANR1H4
SCHEMBL227174 0.92 BACE1 (0.34) KDM4ENPC1GALR3RAB9ANR1H4
SCHEMBL227248 0.92 CPT1A (0.33) KDM4ENPC1GALR3RAB9ANR1H4
SCHEMBL227247 0.92 CPT1A (0.33) KDM4ENPC1GALR3RAB9ANR1H4
SCHEMBL226881 0.91 IDO1 (0.34) KDM4ENPC1GALR3RAB9AIDO1
SCHEMBL226880 0.91 IDO1 (0.34) KDM4ENPC1GALR3RAB9AIDO1
SCHEMBL4484433 0.89 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNATP53

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 14 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
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
EP-1835907-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP 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
WO-2006067175-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO 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 KDM4E 3444/4885NPC1 650/4885GALR3 696/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR KDM4E 1812/4885NPC1 4190/4885GALR3 620/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KDM4E 1648/4885NPC1 3787/4885GALR3 1033/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR KDM4E 1812/4885NPC1 4190/4885GALR3 620/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 KDM4E 3444/4885NPC1 650/4885GALR3 696/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 KDM4E 3444/4885NPC1 650/4885GALR3 696/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 KDM4E 1876/4885NPC1 4098/4885GALR3 793/4885

“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.