SCHEMBL3527284

SCHEMBL3527284

CC(C)(C)OC(=O)NCc1ccc(/C(Nc2ccc(C(C)(C)N)cc2)=C2/C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAMPT P43490 2/20 0.40
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
BACE1 P56817 1/20 0.36
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
HPN P05981 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL226498 0.91 BRD4 (0.39) HDAC1HDAC6NAMPTFPR3FPR2
SCHEMBL4504168 0.91 NAMPT (0.44) HDAC1HDAC6NAMPTFPR3FPR2
SCHEMBL3527285 0.89 LSS (0.39) HDAC1HDAC6NAMPTFPR3FPR2
SCHEMBL3527287 0.89 LSS (0.39) HDAC1HDAC6NAMPTFPR3FPR2
SCHEMBL228181 0.88 MAPT (0.37) HDAC1HDAC6NAMPTFPR3FPR2
SCHEMBL228182 0.88 MAPT (0.37) HDAC1HDAC6NAMPTFPR3FPR2
SCHEMBL4497096 0.85 BACE1 (0.41) MAPTBACE1
SCHEMBL223437 0.85 BACE1 (0.39) HDAC1NAMPTMAPTBACE1
SCHEMBL225210 0.85 SMN1; SMN2 (0.46) HDAC1ALDH1A1MAPTBACE1
SCHEMBL226996 0.83 KMT2A (0.44) HDAC1NAMPTFPR2ALDH1A1MAPT

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 9 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-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-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-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 (5 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 HDAC1 442/4885HDAC6 649/4885NAMPT 1186/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR HDAC1 3712/4885HDAC6 3580/4885NAMPT 3351/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR HDAC1 3712/4885HDAC6 3580/4885NAMPT 3351/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 HDAC1 442/4885HDAC6 649/4885NAMPT 1186/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 HDAC1 3517/4885HDAC6 3282/4885NAMPT 3477/4885

“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.