SCHEMBL2587537

SCHEMBL2587537

CCc1cc(C)[nH]c(=O)c1C#N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.71
ALDH1A1 P00352 9/20 0.71
HPGD P15428 8/20 0.71
HSD17B10 Q99714 4/20 0.71
GLA P06280 5/20 0.56
ATM Q13315 2/20 0.56
GAA P10253 6/20 0.56
TP53 P04637 2/20 0.56
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
UPP1 Q16831 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL2586136 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8885364 0.85 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL18496678 0.83 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2592629 0.83 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10GLA
Hydrochloric Acid SCHEMBL18496649 0.82 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL11051645 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL16561953 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2591527 0.79 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL1694465 0.79 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2592915 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10GLA

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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
EP-3339303-B9 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2021-07-21 EP disclosed
EP-3339303-B9 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2021-07-21 EP disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
EP-3339303-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2020-06-24 EP disclosed
EP-3339303-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2020-06-24 EP disclosed
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 US disclosed
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885ALDH1A1 48/4885HPGD 257/4885
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B KDM4E 77/4885ALDH1A1 496/4885HPGD 3170/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B KDM4E 77/4885ALDH1A1 496/4885HPGD 3170/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 KDM4E 43/4885ALDH1A1 1092/4885HPGD 2177/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885ALDH1A1 45/4885HPGD 403/4885

“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.