SCHEMBL14749157

SCHEMBL14749157

CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(C)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
MAPT P10636 6/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
ALPG P10696 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CSNK2A1 P68400 1/20 0.54
KDM4E B2RXH2 4/20 0.53
THRB P10828 1/20 0.53
PPARG P37231 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
RAB9A P51151 1/20 0.51
KLK7 P49862 2/20 0.49
ST14 Q9Y5Y6 2/20 0.49
KLK14 Q9P0G3 1/20 0.49

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
SCHEMBL14476952 0.91 KMT2A (0.67) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL14749108 0.85 CSNK2A1 (0.57) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL14749107 0.79 MEN1 (0.64) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL14475724 0.76 EGFR (0.62) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL19003276 0.75 MAPT (0.55) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL10615644 0.74 RAB9A (0.72) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL31067939 0.73 KMT2A (0.55) KMT2AMEN1MAPTCSNK2A1KDM4E
SCHEMBL19003277 0.70 KMT2A (0.58) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL8636910 0.69 CSNK2A1 (0.67) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL8636906 0.69 CSNK2A1 (0.67) KMT2AMEN1MAPTALDH1A1HPGD

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 KMT2A 1089/4885MEN1 2938/4885MAPT 3783/4885
US-20180100166-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PCK2, GSR, TFAM KMT2A 2889/4885MEN1 4369/4885MAPT 4110/4885
US-20130059384-A1 COMPOSITIONS AND METHODS FOR ENHANCING BIOENERGETIC STATUS IN FEMALE GERM CELLS PCK2, GSR, TFAM KMT2A 2889/4885MEN1 4369/4885MAPT 4110/4885
US-20160024527-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PCK2, GSR, TFAM KMT2A 2889/4885MEN1 4369/4885MAPT 4110/4885
US-20180085383-A1 SMALL MOLECULE CD38 INHIBITORS AND METHODS OF USING SAME CD38, BCL6B, DNASE1L3 KMT2A 1199/4885MEN1 3469/4885MAPT 3326/4885

“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.