SCHEMBL30975376

SCHEMBL30975376

Fc1cc(Br)c2cn[nH]c2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.34
▸ AXL P30530 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ ALOX15 P16050 1/20 0.31
▸ CSNK2A1 P68400 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
SCHEMBL21631806 0.86 NOS1 (0.34) NOS1AXLPTPN6METAP2IDO1
SCHEMBL31358029 0.83 METAP2 (0.36) NOS1METAP2
SCHEMBL30975396 0.81 NOS1 (0.36) NOS1AXLPTPN6METAP2IDO1
SCHEMBL22964672 0.81 NOS1 (0.36) NOS1AXLPTPN6METAP2IDO1
SCHEMBL15265828 0.78 NOS1 (0.36) NOS1AXLPTPN6METAP2IDO1
SCHEMBL30641268 0.75 NOS1 (0.34) NOS1AXLPTPN6METAP2IDO1
SCHEMBL20577534 0.75 AXL (0.37) NOS1AXLPTPN6METAP2
SCHEMBL29366451 0.74 NOS1 (0.40) NOS1AXLMETAP2IDO1TDO2
SCHEMBL22804796 0.74 NOS1 (0.40) NOS1AXLMETAP2IDO1TDO2
SCHEMBL22805932 0.72 NOS1 (0.36) NOS1AXLPTPN6METAP2IDO1

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 2103/4885PTPN6 1412/4885

“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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