SCHEMBL23552189

SCHEMBL23552189

O=[N+]([O-])c1cc(F)c(OCCSI)c(OC[C@H]2CO2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
DRD4 P21917 2/20 0.32
GLA P06280 1/20 0.31
CYP19A1 P11511 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
SCHEMBL19776487 1.00 PRMT5 (0.36) PRMT5WDR77S1PR4ALDH1A1LMNA
SCHEMBL21468971 0.85 PRMT5 (0.38) PRMT5WDR77S1PR4ALDH1A1LMNA
SCHEMBL21459911 0.83 S1PR4 (0.37) PRMT5WDR77S1PR4ALDH1A1LMNA
SCHEMBL21459912 0.83 S1PR4 (0.37) PRMT5WDR77S1PR4ALDH1A1LMNA
SCHEMBL21469022 0.81 PRMT5 (0.43) PRMT5WDR77S1PR4ALDH1A1LMNA
SCHEMBL19775751 0.81 PRMT5 (0.43) PRMT5WDR77S1PR4ALDH1A1LMNA
SCHEMBL5963778 0.74 S1PR4 (0.52) PRMT5WDR77S1PR4ALDH1A1LMNA
SCHEMBL28723955 0.72 DRD4 (0.39) PRMT5WDR77S1PR4DRD4CYP19A1
SCHEMBL28723953 0.72 DRD4 (0.39) PRMT5WDR77S1PR4DRD4CYP19A1
SCHEMBL6211440 0.67 ALDH1A1 (0.39) PRMT5WDR77ALDH1A1LMNAGAA

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-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 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-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R PRMT5 848/4885WDR77 3832/4885S1PR4 968/4885

“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.