SCHEMBL1796346

SCHEMBL1796346

CC(C)NC(=N)c1ccc(-c2cc(-c3cccc(C(=N)NC(C)C)c3)on2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
PRKD1 Q15139 6/20 0.47
MLLT1 Q03111 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PRKD3 O94806 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
PTGS2 P35354 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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 SCHEMBL1795800 0.99 HSD17B1 (0.47) HSD17B1HSD17B2PRKD1MLLT1NPC1
SCHEMBL1797286 0.96 PRKD1 (0.50) HSD17B1HSD17B2PRKD1MLLT1NPC1
Hydrochloric Acid SCHEMBL1797169 0.95 PRKD1 (0.49) HSD17B1HSD17B2PRKD1MLLT1NPC1
SCHEMBL1800158 0.95 MLLT1 (0.48) HSD17B1HSD17B2PRKD1MLLT1NPC1
Hydrochloric Acid SCHEMBL1801107 0.94 MLLT1 (0.47) HSD17B1HSD17B2PRKD1MLLT1NPC1
SCHEMBL1799321 0.90 NPC1 (0.52) HSD17B1HSD17B2PRKD1MLLT1NPC1
Hydrochloric Acid SCHEMBL1796799 0.89 NPC1 (0.51) HSD17B1HSD17B2PRKD1MLLT1NPC1
SCHEMBL937644 0.77 NPC1 (0.67) PRKD1MLLT1NPC1RAB9ASMN1; SMN2
SCHEMBL1798532 0.77 HSD17B1 (0.55) HSD17B1HSD17B2NPC1RAB9ACASP3
SCHEMBL966138 0.76 PRKD1 (0.62) PRKD1MLLT1NPC1RAB9ASMN1; SMN2

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 HSD17B1 4078/4885HSD17B2 4394/4885PRKD1 2534/4885

“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.