SCHEMBL24422397

SCHEMBL24422397

CCc1cc(CN)cc(/N=N/c2cc(CC)cc(CN)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 11/20 0.37
NOS2 P35228 11/20 0.37
SIGMAR1 Q99720 2/20 0.36
NOS3 P29474 9/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PLAU P00749 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
PNMT P11086 1/20 0.31
PTGS2 P35354 1/20 0.31
ABAT P80404 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31

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
SCHEMBL9973082 0.85 TAAR1 (0.42) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL9853386 0.85 TAAR1 (0.42) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL24422394 0.83 NOS1 (0.35) NOS1NOS2SIGMAR1NOS3TAAR1
SCHEMBL24422877 0.79 NOS1 (0.38) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL27951798 0.78 TAAR1 (0.37) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL16727658 0.78 RXRA (0.45) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL19979027 0.76 LOXL2 (0.40) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL13981840 0.76 PGK1 (0.37) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL18494541 0.74 IDO1 (0.41) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL10666038 0.74 ABAT (0.48) NOS1NOS2NOS3TAAR1PLAU

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 435/4885SIGMAR1 140/4885

“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.