SCHEMBL24345844

SCHEMBL24345844

COc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
DYRK1A Q13627 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL24346375 0.89 POLB (0.35) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23905515 0.89 POLB (0.37) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL24345474 0.87 POLB (0.35) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL29620737 0.86 POLB (0.37) POLBLMNATP53ALDH1A1MEN1
SCHEMBL24345846 0.86 POLB (0.37) POLBLMNATP53ALDH1A1MEN1
SCHEMBL24345453 0.85 POLB (0.35) POLBLMNAMEN1HPGDKMT2A
SCHEMBL29620711 0.85 POLB (0.35) POLBLMNAMEN1HPGDKMT2A
SCHEMBL24345268 0.85 POLB (0.35) POLBLMNAMEN1HPGDKMT2A
SCHEMBL24345317 0.85 POLB (0.34) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL24346374 0.84 POLB (0.35) POLBLMNATP53MEN1HPGD

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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN POLB 3294/4885LMNA 2322/4885TP53 2205/4885

“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.