SCHEMBL1795751

SCHEMBL1795751

c1cc(C2=NCCN2)cc(-c2cc(-c3cccc(C4=NCCN4)c3)on2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.59
MAOB P27338 6/20 0.55
MAOA P21397 4/20 0.55
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACHE P22303 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
Hydrochloric Acid SCHEMBL1799760 0.99 NISCH (0.57) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL1796041 0.94 NISCH (0.56) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL1795198 0.94 NISCH (0.56) NISCHMAOBMAOAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL1796884 0.93 NISCH (0.55) NISCHMAOBMAOAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL1798459 0.93 NISCH (0.55) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8214278 0.84 ALDH1A1 (0.65) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8215584 0.84 HSD17B1 (0.65) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL1794747 0.84 TOP2A (0.61) NISCHMAOBMAOAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL1795721 0.82 TOP2A (0.62) NISCHMAOBMAOAALDH1A1CYP1A2
SCHEMBL8202987 0.81 MAOB (0.69) NISCHMAOBMAOAALDH1A1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US claimed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US claimed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP claimed
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US disclosed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP 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-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO NISCH 1205/4885MAOB 2457/4885MAOA 2257/4885

“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.