SCHEMBL24079283

SCHEMBL24079283

O=C(O)c1nc2n(c1F)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MTHFD2 P13995 1/20 0.38
HPGD P15428 1/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28470543 0.79 MAPK1 (0.40) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL28626993 0.79 MAPK1 (0.40) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL19909627 0.79 MAPK1 (0.43) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL19148226 0.74 POLB (0.43) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL21357724 0.72 MAPK1 (0.38) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL28468166 0.72 MAPK1 (0.38) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL21363297 0.70 ALDH1A1 (0.37) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL13772455 0.69 HSD17B10 (0.60) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL21818744 0.69 MAPK1 (0.40) MAPK1ALDH1A1POLBAPEX1RECQL
SCHEMBL29876882 0.69 MEN1 (0.40) MAPK1ALDH1A1POLBAPEX1RECQL

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-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 MAPK1 756/4885ALDH1A1 2418/4885POLB 4143/4885

“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.