SCHEMBL14920649

SCHEMBL14920649

CC(N)c1cccc(C(=O)c2ccco2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
RECQL P46063 2/20 0.56
POLB P06746 2/20 0.56
THRB P10828 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTGS1 P23219 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PTGS2 P35354 3/20 0.44
MAPT P10636 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 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
SCHEMBL14921109 0.87 CES2 (0.51) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL4258877 0.86 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL4258886 0.86 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL11616443 0.84 ALDH1A1 (0.66) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL27870610 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL1889981 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL1889984 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL2420041 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL21056112 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLPOLB
SCHEMBL13653043 0.78 MAPT (0.70) MEN1KMT2AALDH1A1RECQLTDP1

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-9145354-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2015-09-29 US disclosed
US-20150051199-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-19 US disclosed
EP-2773615-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
EP-2773615-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
WO-2013064543-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 WO disclosed
WO-2013064543-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 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 (1 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-20150051199-A1 PHARMACEUTICAL COMPOUNDS NR1H4, HAVCR2, NR1H3 MEN1 3189/4885KMT2A 3307/4885ALDH1A1 3105/4885

“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.