SCHEMBL5625807

SCHEMBL5625807

O=C(O)Cc1ccc(N/C(=C2\C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.48
BRD2 P25440 3/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6984873 1.00 BRD4 (0.48) BRD4BRD2HDAC1HDAC8MEN1
SCHEMBL5625812 1.00 BRD4 (0.48) BRD4BRD2HDAC1HDAC8MEN1
SCHEMBL6750881 0.90 BRD4 (0.55) BRD4BRD2MEN1KMT2AALDH1A1
SCHEMBL6750882 0.90 BRD4 (0.55) BRD4BRD2MEN1KMT2AALDH1A1
SCHEMBL6989942 0.90 BRD4 (0.55) BRD4BRD2MEN1KMT2AALDH1A1
SCHEMBL6984416 0.89 ALDH1A1 (0.52) BRD4BRD2HDAC1HDAC8MEN1
SCHEMBL5624383 0.89 ALDH1A1 (0.52) BRD4BRD2HDAC1HDAC8MEN1
SCHEMBL5624390 0.89 ALDH1A1 (0.52) BRD4BRD2HDAC1HDAC8MEN1
SCHEMBL5627554 0.89 AURKA (0.47) BRD4BRD2HDAC1HDAC8MEN1
SCHEMBL6986615 0.89 AURKA (0.47) BRD4BRD2HDAC1HDAC8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166615-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-7160901-B2 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-09 US disclosed
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US disclosed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US disclosed
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP disclosed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US disclosed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 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 (3 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-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 BRD4 1145/4885BRD2 1996/4885HDAC1 1094/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 BRD4 1145/4885BRD2 1996/4885HDAC1 1094/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 BRD4 1082/4885BRD2 2405/4885HDAC1 756/4885

“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.