SCHEMBL14749108

SCHEMBL14749108

COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.57
KDM4E B2RXH2 6/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 8/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PPARG P37231 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LMNA P02545 1/20 0.49
EGFR P00533 1/20 0.49
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.47
CA12 O43570 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
SCHEMBL14475724 0.90 EGFR (0.62) CSNK2A1KDM4ETHRBKMT2AMAPT
SCHEMBL14749157 0.85 KMT2A (0.57) CSNK2A1KDM4ETHRBKMT2AMAPT
SCHEMBL15931501 0.82 MAPT (0.57) CSNK2A1KDM4ETHRBKMT2AMAPT
SCHEMBL14749107 0.79 MEN1 (0.64) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL14476952 0.76 KMT2A (0.67) CSNK2A1KDM4ETHRBKMT2AMAPT
SCHEMBL13833830 0.76 MAPT (0.59) CSNK2A1KDM4ETHRBKMT2AMAPT
SCHEMBL8636910 0.71 CSNK2A1 (0.67) CSNK2A1KDM4ETHRBKMT2AMAPT
SCHEMBL8636906 0.71 CSNK2A1 (0.67) CSNK2A1KDM4ETHRBKMT2AMAPT
SCHEMBL8995999 0.69 EGFR (0.64) THRBKMT2AMAPTMEN1ALDH1A1
SCHEMBL14475725 0.69 EGFR (0.72) KDM4EKMT2AMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180100166-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-04-12 US disclosed
US-20180085383-A1 SMALL MOLECULE CD38 INHIBITORS AND METHODS OF USING SAME MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-03-29 US disclosed
US-9845482-B2 Compositions and methods for enhancing bioenergetic status in female germ cells THE GENERAL HOSPITAL CORPORATION (US) 2017-12-19 US disclosed
US-20160024527-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-01-28 US disclosed
US-20140221319-A1 Small Molecule CD38 Inhibitors and Methods of Using Same MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-08-07 US disclosed
US-20130059384-A1 COMPOSITIONS AND METHODS FOR ENHANCING BIOENERGETIC STATUS IN FEMALE GERM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-07 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-20140221319-A1 Small Molecule CD38 Inhibitors and Methods of Using Same CD38, CD22, CD2 CSNK2A1 1966/4885KDM4E 1900/4885THRB 4582/4885
US-20180100166-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PCK2, GSR, TFAM CSNK2A1 2586/4885KDM4E 2420/4885THRB 3851/4885
US-20130059384-A1 COMPOSITIONS AND METHODS FOR ENHANCING BIOENERGETIC STATUS IN FEMALE GERM CELLS PCK2, GSR, TFAM CSNK2A1 2586/4885KDM4E 2420/4885THRB 3851/4885
US-20160024527-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PCK2, GSR, TFAM CSNK2A1 2586/4885KDM4E 2420/4885THRB 3851/4885
US-20180085383-A1 SMALL MOLECULE CD38 INHIBITORS AND METHODS OF USING SAME CD38, BCL6B, DNASE1L3 CSNK2A1 2014/4885KDM4E 1524/4885THRB 4378/4885

“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.