SCHEMBL16150528

SCHEMBL16150528

C#CCc1ccc(NC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 2/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MB P02144 1/20 0.52
CYP1A1 P04798 1/20 0.52

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
SCHEMBL7771746 0.83 TSHR (0.59) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL549173 0.81 KMT2A (0.63) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL274924 0.78 TSHR (0.79) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL29622963 0.78 AOC3 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL29622962 0.78 AOC3 (0.67) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL4132208 0.77 CYP17A1 (0.56) CA12CA1CA9NAMPT
SCHEMBL861674 0.77 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL155297 0.76 RAB9A (0.64) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL839533 0.76 SMN1; SMN2 (0.61) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL1014074 0.76 SMN1; SMN2 (0.61) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 US disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-19 US disclosed
US-9873697-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2018-01-23 US disclosed
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-02 US disclosed
US-9738637-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-08-22 US disclosed
US-20160194315-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-07-07 US disclosed
EP-2968282-A1 HISTONE DEMENTHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014164708-A1 HISTONE DEMENTHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-10-09 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 (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-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A SMN1; SMN2 2765/4885HTT 2236/4885L3MBTL1 1258/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A SMN1; SMN2 2765/4885HTT 2236/4885L3MBTL1 1258/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A SMN1; SMN2 2765/4885HTT 2236/4885L3MBTL1 1258/4885
US-20160194315-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A SMN1; SMN2 2765/4885HTT 2236/4885L3MBTL1 1258/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A SMN1; SMN2 2765/4885HTT 2236/4885L3MBTL1 1258/4885

“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.