SCHEMBL1357862

SCHEMBL1357862

COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 7/20 0.67
KDM4E B2RXH2 11/20 0.57
HPGD P15428 10/20 0.57
ALDH1A1 P00352 9/20 0.57
GAA P10253 9/20 0.57
CASP1 P29466 4/20 0.57
CASP7 P55210 4/20 0.57
HSD17B10 Q99714 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 4/20 0.49
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KLK7 P49862 1/20 0.47

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
SCHEMBL15046977 0.89 NOTCH1 (0.57) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL12137837 0.86 NOTCH1 (0.53) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL12136009 0.86 KDM4E (0.63) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL12135705 0.84 KDM4E (0.61) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL1356628 0.80 NOTCH1 (0.76) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL1357783 0.80 KDM4E (0.66) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL3329623 0.80 KDM4E (0.68) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL1356573 0.80 KDM4E (0.60) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL12135791 0.79 KDM4E (0.73) NOTCH1KDM4EHPGDALDH1A1GAA
SCHEMBL12135877 0.75 KDM4E (0.73) NOTCH1KDM4EHPGDALDH1A1GAA

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-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-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
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

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-20130157947-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION MCL1, NES, RUNX1 NOTCH1 96/4885KDM4E 1601/4885HPGD 3066/4885
US-20110281356-A1 COMPOUNDS FOR STEM CELL DIFFERENTIATION MCL1, NES, RUNX1 NOTCH1 87/4885KDM4E 1648/4885HPGD 2917/4885

“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.