SCHEMBL16401899

SCHEMBL16401899

COc1nc(C)cc(CO)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.50
HPGD P15428 8/20 0.49
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 6/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 2/20 0.46
SQOR Q9Y6N5 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 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
SCHEMBL4062552 0.89 ALDH1A1 (0.48) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL16401095 0.87 RECQL (0.50) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL4070239 0.82 HSD17B10 (0.46) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL16401297 0.80 RECQL (0.44) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL16401343 0.80 RECQL (0.39) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL15174110 0.79 RECQL (0.53) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL2673753 0.79 RECQL (0.71) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL16400992 0.78 RECQL (0.42) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL16401824 0.78 KDM4E (0.48) RECQLHPGDALDH1A1KDM4EGAA
SCHEMBL30280923 0.78 KDM4E (0.43) HPGDALDH1A1KDM4EGAAHSD17B10

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-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
EP-3004096-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-04-13 EP disclosed
WO-2014195919-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-11 WO disclosed
WO-2014195919-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-11 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-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, BMI1, EZH1 RECQL 3615/4885HPGD 2028/4885ALDH1A1 2517/4885

“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.