SCHEMBL25522787

SCHEMBL25522787

CN(C)CCNc1cccc(I)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ BRD4 O60885 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ FGFR2 P21802 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38
▸ NCF1 P14598 2/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ IDH2 P48735 1/20 0.38
▸ GRK2 P25098 1/20 0.37

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
SCHEMBL11696738 0.80 MAPT (0.71) NOS1NOS2CYP2C19CYP1A2CYP3A4
SCHEMBL10798830 0.80 TAAR1 (0.53) NOS1NOS2CYP2C19CYP1A2CYP3A4
SCHEMBL12963098 0.79 MAPT (0.48) CYP2C19CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL15008399 0.79 EGFR (0.52) NOS1NOS2CYP2C19CYP1A2CYP3A4
SCHEMBL2460900 0.79 CYP2C19 (0.48) NOS1NOS2CYP2C19CYP1A2CYP3A4
SCHEMBL9827188 0.79 CHRNB2 (0.47) NOS1NOS2CYP2C19CYP1A2CYP3A4
SCHEMBL4663442 0.79 NOS1 (0.51) NOS1NOS2CYP2C19CYP1A2CYP3A4
SCHEMBL24137804 0.77 MAPT (0.52) CYP2C19CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL30596235 0.77 MAPT (0.52) CYP2C19CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL171395 0.77 ALDH1A1 (0.56) NOS1NOS2CYP2C19MAPTMALT1

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
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 — — US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 — — 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 NOS1 3668/4885NOS2 4128/4885CYP2C19 3887/4885

“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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