SCHEMBL15946338

SCHEMBL15946338

CC(C)(C)NC(=O)c1ccc2nc(-c3ccc(N)cc3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
MAPT P10636 4/20 0.69
NPC1 O15118 3/20 0.69
GAA P10253 3/20 0.69
RAB9A P51151 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
NFKB1 P19838 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
MITF O75030 1/20 0.69
POLB P06746 1/20 0.69
RECQL P46063 1/20 0.69
GFER P55789 1/20 0.69
PAX8 Q06710 1/20 0.69
KLF5 Q13887 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
GLA P06280 2/20 0.57
APP P05067 12/20 0.55
SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL15948135 0.88 KDM4E (0.76) KDM4EMAPTNPC1GAARAB9A
SCHEMBL12392453 0.84 KDM4E (0.74) KDM4EMAPTNPC1GAARAB9A
SCHEMBL14415813 0.82 KDM4E (0.80) KDM4EMAPTNPC1GAARAB9A
SCHEMBL8531346 0.82 KDM4E (1.00) KDM4EMAPTNPC1GAARAB9A
SCHEMBL10032136 0.81 KDM4E (0.74) KDM4EMAPTNPC1GAARAB9A
SCHEMBL12392535 0.80 MAPT (0.61) KDM4EMAPTNPC1GAARAB9A
SCHEMBL15224059 0.78 NPC1 (0.65) KDM4EMAPTNPC1GAARAB9A
SCHEMBL21887622 0.77 NPC1 (0.67) KDM4EMAPTNPC1GAARAB9A
SCHEMBL2192742 0.76 MAPT (0.73) KDM4EMAPTNPC1GAARAB9A
SCHEMBL14817254 0.76 MAPT (0.77) KDM4EMAPTNPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US 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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 KDM4E 2825/4885MAPT 2466/4885NPC1 2518/4885

“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.