SCHEMBL3329623

SCHEMBL3329623

COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.68
HPGD P15428 7/20 0.68
ALDH1A1 P00352 12/20 0.67
GAA P10253 8/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CASP1 P29466 5/20 0.64
HSD17B10 Q99714 4/20 0.64
CASP7 P55210 4/20 0.64
GLA P06280 3/20 0.61
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.61
KLK7 P49862 1/20 0.61
RECQL P46063 1/20 0.60
TSHR P16473 2/20 0.60
USP2 O75604 1/20 0.58
PKM P14618 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
NOTCH1 P46531 1/20 0.55

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
SCHEMBL12135791 0.93 KDM4E (0.73) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL3239096 0.90 KDM4E (0.75) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL1356573 0.89 KDM4E (0.60) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL12135877 0.89 KDM4E (0.73) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL15043896 0.88 KDM4E (0.61) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL24699531 0.88 EGFR (0.65) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL1355090 0.87 KDM4E (0.70) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL12135876 0.87 KDM4E (0.70) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL12135870 0.87 KDM4E (0.70) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL12137304 0.87 KDM4E (0.52) KDM4EHPGDALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233926-B2 Compounds for stem cell differentiation SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-01-12 US disclosed
US-9233926-B2 Compounds for stem cell differentiation SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-01-12 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20130157947-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION Sanford Burnham Prebys Medical Discovery Institute 2013-06-20 US disclosed
US-20130157947-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION Sanford Burnham Prebys Medical Discovery Institute 2013-06-20 US disclosed
WO-2012158568-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-11-22 WO disclosed
US-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2011-11-17 US disclosed
US-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2011-11-17 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION ARCHER PHARMACEUTICALS, INC. (US) 2010-05-13 US disclosed
WO-2010033643-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-03-25 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 (4 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-20130157947-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION MCL1, NES, RUNX1 KDM4E 1601/4885HPGD 3066/4885ALDH1A1 52/4885
US-20100119599-A1 POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION APP, MAPT, PSEN1 KDM4E 4115/4885HPGD 265/4885ALDH1A1 2615/4885
US-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION MCL1, NES, RUNX1 KDM4E 1648/4885HPGD 2917/4885ALDH1A1 48/4885
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 KDM4E 2848/4885HPGD 2231/4885ALDH1A1 454/4885

“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.