SCHEMBL29797933

SCHEMBL29797933

O=C(CC1Sc2ncccc2NC1=O)NCc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
SRC P12931 2/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ENPP2 Q13822 1/20 0.41
CDC7 O00311 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL29797738 0.92 HTT (0.50) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29797972 0.89 HTT (0.54) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29798036 0.89 TP53 (0.53) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29797709 0.88 HTT (0.72) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29797729 0.88 HTT (0.50) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29797757 0.84 HTT (0.56) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29798065 0.83 HTT (0.56) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29797846 0.81 ALDH1A1 (0.47) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL22663568 0.78 CYP2D6 (0.45) HTTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL22663570 0.76 CYP2D6 (0.55) HTTMEN1KMT2AALDH1A1HSD17B10

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-20220233549-A1 METHOD FOR ALPHAVIRUS INHIBITION VenatoRx Pharmaceuticals, Inc. 2022-07-28 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-20220233549-A1 METHOD FOR ALPHAVIRUS INHIBITION EIF2AK2, CHIA, HAVCR2 HTT 4411/4885MEN1 4227/4885KMT2A 1550/4885

“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.