SCHEMBL14534656

SCHEMBL14534656

CCC(=O)c1nc(NC(C)(C)C)sc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RORC P51449 1/20 0.32
▸ PIK3CG P48736 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL24630405 0.74 RAB9A (0.36) MEN1KMT2ASMN1; SMN2TP53
SCHEMBL23815751 0.70 GFER (0.36) RORCLMNAALDH1A1GAA
SCHEMBL23815725 0.68 SHMT2 (0.39) MEN1CYP1A2KMT2ASMN1; SMN2RORC
SCHEMBL23682669 0.65 GFER (0.36) CYP1A2KMT2ASMN1; SMN2RORCLMNA
SCHEMBL2952498 0.62 CA1 (0.42) —
SCHEMBL2880579 0.62 COPS5 (0.35) RORC
SCHEMBL2753265 0.62 LMNA (0.35) SMN1; SMN2TP53LMNAGAA
SCHEMBL23815752 0.62 GAA (0.44) MEN1CYP1A2KMT2ASMN1; SMN2TP53
SCHEMBL1845956 0.61 PIK3CA (0.45) MEN1CYP1A2KMT2ASMN1; SMN2RORC
SCHEMBL8554826 0.58 ALDH1A1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 — — 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM MEN1 2072/4885CYP1A2 4808/4885KMT2A 4001/4885

“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.

Send feedback