SCHEMBL29798065

SCHEMBL29798065

O=C(CC1Sc2ncccc2NC1=O)NCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
USP2 O75604 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL29798036 0.90 TP53 (0.53) HTTUSP2KMT2AMEN1LMNA
SCHEMBL29797757 0.89 HTT (0.56) HTTUSP2KMT2AMEN1MAPT
SCHEMBL29797709 0.89 HTT (0.72) HTTUSP2KMT2AMEN1LMNA
SCHEMBL29797972 0.88 HTT (0.54) HTTUSP2KMT2AMEN1MAPT
SCHEMBL29797738 0.84 HTT (0.50) HTTKMT2AMEN1MAPTLMNA
SCHEMBL29797729 0.84 HTT (0.50) HTTKMT2AMEN1MAPTPKM
SCHEMBL29797933 0.83 HTT (0.56) HTTKMT2AMEN1MAPTLMNA
SCHEMBL22663525 0.80 MEN1 (0.43) HTTUSP2KMT2AMEN1MAPT
SCHEMBL29797846 0.80 ALDH1A1 (0.47) HTTKMT2AMEN1MAPTLMNA
SCHEMBL22663570 0.79 CYP2D6 (0.55) HTTUSP2KMT2AMEN1MAPT

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 4411/4885USP2 3308/4885KMT2A 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.