SCHEMBL23701754

SCHEMBL23701754

NCC(=CF)COc1ccc(-c2cnn[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 19/20 0.61
AOC2 O75106 1/20 0.57
DAO P14920 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57

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
SCHEMBL23701753 1.00 AOC3 (0.61) AOC3AOC2DAOMAOAMAOB
SCHEMBL23718609 0.82 AOC3 (0.64) AOC3AOC2DAOMAOAMAOB
SCHEMBL23701809 0.81 AOC3 (0.59) AOC3AOC2DAOMAOAMAOB
Hydrochloric Acid SCHEMBL23701841 0.81 AOC3 (0.62) AOC3AOC2DAOMAOAMAOB
SCHEMBL20714313 0.78 AOC3 (0.66) AOC3AOC2DAOMAOAMAOB
SCHEMBL20714312 0.78 AOC3 (0.66) AOC3AOC2DAOMAOAMAOB
Hydrochloric Acid SCHEMBL23701840 0.77 AOC3 (0.65) AOC3AOC2DAOMAOAMAOB
Hydrochloric Acid SCHEMBL23701783 0.77 AOC3 (0.65) AOC3AOC2DAOMAOAMAOB
SCHEMBL23701847 0.76 AOC3 (0.67) AOC3AOC2DAOMAOAMAOB
SCHEMBL21889276 0.76 AOC3 (1.00) AOC3

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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-08-05 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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF VCAM1, VAPB, ICAM1 AOC3 796/4885AOC2 807/4885DAO 3605/4885

“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.