SCHEMBL3456352

SCHEMBL3456352

CCOC(=O)c1ccc(Cl)cc1NC(=O)CC#N

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.50
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL11010057 0.81 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14217003 0.81 MAPK1 (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL25389264 0.78 ALDH1A1 (0.67) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL22224841 0.78 HSD17B10 (0.52) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9818853 0.77 KMT2A (0.57) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11143547 0.77 POLB (0.70) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL7465474 0.76 P2RY12 (0.47) KDM4EHSD17B10KMT2AMAPT
SCHEMBL7466216 0.75 P2RY12 (0.47) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL12680464 0.75 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL772143 0.75 MEN1 (0.56) KDM4EALDH1A1HSD17B10MEN1KMT2A

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-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 US disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
EP-2240016-A1 AMPK MODULATORS Mercury Therapeutics, Inc. (US) 2010-10-20 EP disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 US disclosed
WO-2009100130-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP 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 (3 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-20150266892-A1 AMPK Modulators PRKAG1, PRKAG2, PRKAG3 KDM4E 1353/4885ALDH1A1 323/4885HSD17B10 672/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 KDM4E 1353/4885ALDH1A1 323/4885HSD17B10 672/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 KDM4E 1353/4885ALDH1A1 323/4885HSD17B10 672/4885

“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.