SCHEMBL24423474

SCHEMBL24423474

N=Nc1ccc(CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.52
▸ NOS1 P29475 2/20 0.52
▸ NOS2 P35228 2/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.50
▸ LOXL2 Q9Y4K0 7/20 0.48
▸ ABAT P80404 1/20 0.46
▸ F10 P00742 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ F11 P03951 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL5644081 0.80 NOS3 (0.55) NOS3NOS1NOS2LOXL2TAAR1
SCHEMBL2202977 0.78 NOS3 (0.56) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL2202972 0.78 NOS3 (0.56) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL24423149 0.77 NOS1 (0.58) NOS3NOS1NOS2LOXL2PNMT
SCHEMBL15828 0.76 HRH3 (0.79) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL1304188 0.76 POLB (0.32) MAPT
SCHEMBL27238704 0.76 HRH3 (0.79) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL10073625 0.76 TSHR (0.46) —
SCHEMBL9654390 0.74 NOS3 (0.52) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL8587970 0.74 PLAU (0.52) TAAR1CA2MAPT

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 NOS3 91/4885NOS1 349/4885NOS2 435/4885

“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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