SCHEMBL15946351

SCHEMBL15946351

CC(C)(C)NC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
CASP3 P42574 1/20 0.39
NAMPT P43490 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL4413943 0.85 KMT2A (0.47) KMT2AEPHX2HDAC1HDAC3HDAC2
SCHEMBL16256817 0.85 KMT2A (0.52) KMT2AEPHX2LMNACASP3
SCHEMBL15946357 0.84 EPHX2 (0.56) KMT2AEPHX2RAB9ACASP3
SCHEMBL32671446 0.84 KMT2A (0.51) KMT2AEPHX2HDAC1CASP3NAMPT
SCHEMBL14485472 0.84 KMT2A (0.51) KMT2AEPHX2HDAC1CASP3NAMPT
SCHEMBL118108 0.83 KMT2A (0.56) KMT2AEPHX2CASP3
SCHEMBL29678978 0.83 KMT2A (0.56) KMT2AEPHX2CASP3
SCHEMBL29402075 0.83 KMT2A (0.56) KMT2AEPHX2CASP3
SCHEMBL20415024 0.83 KMT2A (0.52) KMT2AHDAC1HDAC2NAMPTHDAC6
SCHEMBL15948331 0.82 KMT2A (0.53) KMT2AEPHX2HDAC1HDAC3HDAC2

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 KMT2A 3831/4885EPHX2 524/4885LMNA 2452/4885

“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.