SCHEMBL24422865

SCHEMBL24422865

Cc1ccc(C=O)cc1/N=N\c1cc(C=O)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
ALDH1A1 P00352 8/20 0.42
ALDH1A3 P47895 2/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
PTGS2 P35354 1/20 0.40
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 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
SCHEMBL13531113 0.85 CYP2A6 (0.43) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL22452273 0.79 TUBB4A (0.55) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL98097 0.77 CYP2A6 (0.52) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL29350085 0.77 CYP2A6 (0.52) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL548633 0.73 ALDH1A1 (0.50) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
Hydrazine SCHEMBL27345905 0.73 ALDH1A1 (0.48) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL154851 0.73 ALDH1A3 (0.53) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL29818896 0.73 ALDH1A1 (0.50) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL12589868 0.72 ALDH1A1 (0.44) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
O-Xylene SCHEMBL7770810 0.71 ALDH1A1 (0.48) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E

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 CYP2A6 532/4885ALDH1A1 2624/4885ALDH1A3 904/4885

“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.