SCHEMBL31478751

SCHEMBL31478751

FC(F)(F)C(F)(F)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AR P10275 2/20 0.38
FBP1 P09467 2/20 0.36
PDK1 Q15118 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H2 P55055 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
PDPK1 O15530 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL577437 0.80
SCHEMBL5759768 0.77 AR (0.42) ALDH1A1TSHRNOS1HSD17B10AR
SCHEMBL8682014 0.77 AR (0.52) ALDH1A1TSHRNOS1HSD17B10AR
SCHEMBL8447549 0.76
SCHEMBL30756417 0.76
SCHEMBL6288482 0.74 AR (0.42) ALDH1A1TSHRNOS1HSD17B10AR
SCHEMBL26229838 0.74 AR (0.40) ALDH1A1TSHRNOS1HSD17B10AR
SCHEMBL27837232 0.73
SCHEMBL8682749 0.73 MEN1 (0.42) ALDH1A1TSHRNOS1HSD17B10AR
SCHEMBL27558708 0.72

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US claimed

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI ALDH1A1 1680/4885TSHR 3700/4885NOS1 3382/4885

“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.