SCHEMBL24423149

SCHEMBL24423149

N=Nc1cccc(CN)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 14/20 0.58
▸ NOS2 P35228 13/20 0.58
▸ NOS3 P29474 11/20 0.56
▸ PNMT P11086 1/20 0.54
▸ ENPP2 Q13822 1/20 0.48
▸ LOXL2 Q9Y4K0 2/20 0.48

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
SCHEMBL24422635 0.82 NOS1 (0.62) NOS1NOS2NOS3PNMTENPP2
SCHEMBL28395224 0.78 SIGMAR1 (0.47) NOS1NOS2
SCHEMBL10134884 0.78 NOS1 (0.58) NOS1NOS2NOS3PNMTENPP2
SCHEMBL27979620 0.77 NOS1 (0.56) NOS1NOS2NOS3PNMTENPP2
SCHEMBL24423474 0.77 NOS3 (0.52) NOS1NOS2NOS3PNMTLOXL2
SCHEMBL10422276 0.75 LOXL2 (0.71) NOS1NOS2NOS3PNMTENPP2
SCHEMBL36008 0.75 LOXL2 (0.71) NOS1NOS2NOS3PNMTENPP2
SCHEMBL20552581 0.74 NOS1 (0.53) NOS1NOS2NOS3PNMTENPP2
SCHEMBL27300646 0.74 NOS1 (0.53) NOS1NOS2NOS3PNMTENPP2
SCHEMBL27278789 0.74 NOS1 (0.53) NOS1NOS2NOS3PNMTENPP2

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-20220144757-A1 Compound, Carbon Dioxide Absorption/Release Agent, Carbon Dioxide Collection Method, and Carbon Dioxide Collection Apparatus TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2022-05-12 — — 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-20220144757-A1 Compound, Carbon Dioxide Absorption/Release Agent, Carbon Dioxide Collection Method, and Carbon Dioxide Collection Apparatus CBR3, CNR1, CBR1 NOS1 349/4885NOS2 435/4885NOS3 91/4885

“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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