SCHEMBL6979675

SCHEMBL6979675

COC(=O)c1ccc2c(=O)[nH]c(C(C)C)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
PARP1 P09874 3/20 0.50
TNKS O95271 1/20 0.49
CSNK2A1 P68400 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.45
PARG Q86W56 1/20 0.44
KIF11 P52732 1/20 0.44
RECQL P46063 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43

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
SCHEMBL6978938 0.86 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2619363 0.84 HDAC6 (0.47) KDM4EPARGRECQL
SCHEMBL407841 0.82 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2118255 0.82 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2117452 0.81 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2039522 0.81 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL13343616 0.80 TNKS (0.53) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL4249669 0.80 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2118620 0.78 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL31483754 0.78 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 KDM4E 3970/4885ALDH1A1 1185/4885SMN1; SMN2 233/4885

“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.