SCHEMBL1797286

SCHEMBL1797286

CC(C)NC(=N)c1ccc(-c2cc(-c3cccc(C(=N)NC(C)C)c3)no2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 7/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MLLT1 Q03111 1/20 0.43
PRKD3 O94806 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
PTGS2 P35354 1/20 0.40

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 SCHEMBL1797169 0.99 PRKD1 (0.49) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1796346 0.96 HSD17B1 (0.48) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1795800 0.95 HSD17B1 (0.47) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1800158 0.94 MLLT1 (0.48) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1801107 0.92 MLLT1 (0.47) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1799321 0.91 NPC1 (0.52) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1796799 0.90 NPC1 (0.51) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL937644 0.81 NPC1 (0.67) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6922488 0.80 PRKD1 (0.62) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL966138 0.80 PRKD1 (0.62) PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1

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 PRKD1 2534/4885NPC1 3545/4885RAB9A 1451/4885

“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.