SCHEMBL24423487

SCHEMBL24423487

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
CASP1 P29466 4/20 0.54
CYP3A4 P08684 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
USP2 O75604 1/20 0.50
BLM P54132 1/20 0.50
PDE10A Q9Y233 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
ATM Q13315 1/20 0.43
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 3/20 0.41

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
SCHEMBL28410275 1.00 ALDH1A1 (0.56) ALDH1A1CASP1CYP3A4KDM4EMAPT
SCHEMBL11844658 0.89 CYP3A4 (0.56) ALDH1A1CASP1CYP3A4KDM4EMAPT
SCHEMBL10228517 0.81 ALDH1A1 (0.52) ALDH1A1CASP1CYP3A4KDM4EMAPT
SCHEMBL26405492 0.81 ALDH1A1 (0.52) ALDH1A1CASP1CYP3A4KDM4EMAPT
SCHEMBL11685094 0.80 ALDH1A1 (0.61) ALDH1A1CASP1CYP3A4KDM4EMAPT
SCHEMBL9611204 0.80 ALDH1A1 (0.61) ALDH1A1CASP1CYP3A4KDM4EMAPT
SCHEMBL28045110 0.78 MAPT (0.50) ALDH1A1CYP3A4KDM4EMAPTTSHR
SCHEMBL2694585 0.78 CASP1 (0.48) ALDH1A1CASP1CYP3A4KDM4EMAPT
SCHEMBL11686580 0.78 RAB9A (0.62) ALDH1A1CYP3A4KDM4EMAPTTSHR
SCHEMBL11686585 0.78 RAB9A (0.62) ALDH1A1CYP3A4KDM4EMAPTTSHR

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 ALDH1A1 2624/4885CASP1 1704/4885CYP3A4 211/4885

“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.