SCHEMBL24345454

SCHEMBL24345454

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
HTR2C P28335 4/20 0.32
DRD2 P14416 3/20 0.32
DRD1 P21728 3/20 0.32
DRD4 P21917 3/20 0.32
DRD3 P35462 3/20 0.32
PTGFR P43088 3/20 0.32
GABRA5 P31644 1/20 0.32
DYRK1A Q13627 1/20 0.32
HPGDS O60760 1/20 0.31
P2RX7 Q99572 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL24363611 1.00 POLB (0.38) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23905459 0.94 POLB (0.36) POLBLMNAMEN1KMT2AHPGD
SCHEMBL23905701 0.93 AR (0.35) POLBHTR2CHTR2B
SCHEMBL23904817 0.88 LRRK2 (0.34) LMNATP53GABRA5HPGDS
SCHEMBL23905661 0.87 LMNA (0.33) POLBLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23905426 0.86 AR (0.34) POLBP2RX7
SCHEMBL23905469 0.85 CXCR6 (0.32) POLBLMNATP53KMT2A
SCHEMBL23905666 0.84 ROCK2 (0.33) POLB
SCHEMBL24345438 0.84 POLB (0.38) POLBLMNAMEN1KMT2AHPGD
SCHEMBL24363581 0.83 SLC5A7 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed
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.