SCHEMBL30975544

SCHEMBL30975544

FC(F)n1ncc2c(Br)cccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ GRM2 Q14416 2/20 0.31
▸ BACE1 P56817 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
SCHEMBL29303425 1.00 NOS1 (0.34) NOS1AXLNPC1RAB9AHDAC8
SCHEMBL30975428 0.82 EZH2 (0.39) NOS1AXLNPC1RAB9AHDAC8
SCHEMBL29303420 0.82 EZH2 (0.39) NOS1AXLNPC1RAB9AHDAC8
SCHEMBL31692187 0.77 — —
SCHEMBL29303183 0.76 GABRA1 (0.34) —
SCHEMBL26920959 0.76 GCGR (0.30) —
SCHEMBL28776591 0.76 NPC1 (0.40) NPC1RAB9AHDAC8GRM2
SCHEMBL28776592 0.76 NPC1 (0.35) NOS1AXLNPC1RAB9AHDAC8
SCHEMBL1900443 0.72 CCR4 (0.40) NOS1AXLNPC1RAB9AGRM2
SCHEMBL18993241 0.72 NOS1 (0.37) NOS1AXLNPC1RAB9AGRM2

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 — — 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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 NOS1 2108/4885AXL 2103/4885NPC1 3358/4885

“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.

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