SCHEMBL12135877

SCHEMBL12135877

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.73
HPGD P15428 9/20 0.73
ALDH1A1 P00352 13/20 0.66
GAA P10253 9/20 0.66
CASP1 P29466 6/20 0.66
HSD17B10 Q99714 5/20 0.66
CASP7 P55210 5/20 0.66
GLA P06280 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.66
HTT P42858 1/20 0.66
KLK7 P49862 1/20 0.66
RAB9A P51151 1/20 0.65
RECQL P46063 1/20 0.64
TSHR P16473 3/20 0.64
USP2 O75604 1/20 0.62
PKM P14618 1/20 0.62
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
NOTCH1 P46531 1/20 0.59

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
SCHEMBL24698610 0.93 KDM4E (0.64) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL1355090 0.91 KDM4E (0.70) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL12135876 0.91 KDM4E (0.70) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL12135870 0.91 KDM4E (0.70) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL12135791 0.91 KDM4E (0.73) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL12135880 0.89 KDM4E (0.68) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL12135879 0.89 KDM4E (0.68) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL3329623 0.89 KDM4E (0.68) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL3326553 0.88 KDM4E (0.67) KDM4EHPGDALDH1A1GAACASP1
SCHEMBL16854541 0.88 KDM4E (0.81) KDM4EHPGDALDH1A1GAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.