SCHEMBL24422883

SCHEMBL24422883

COc1cc(CN)cc(N=N)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.40
▸ GRIN3B O60391 2/20 0.40
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ GRIN2C Q14957 2/20 0.40
▸ GRIN3A Q8TCU5 2/20 0.40
▸ MAOB P27338 3/20 0.39
▸ TAAR1 Q96RJ0 5/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ IDO1 P14902 3/20 0.33
▸ AGXT P21549 2/20 0.33
▸ LOX P28300 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL13073022 0.81 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL43448 0.80 ALDH1A1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18769324 0.80 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13632755 0.80 ALDH1A1 (0.58) CYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL2479666 0.78 ALDH1A1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3086949 0.75 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24422400 0.75 NOS1 (0.35) TAAR1
SCHEMBL24422394 0.75 NOS1 (0.35) TAAR1ALDH1A1IDO1LOXL2
SCHEMBL3507655 0.72 CYP19A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL418489 0.72 TACR1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 2488/4885GRIN3B 1072/4885GRIN1 1356/4885

“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.

Send feedback