SCHEMBL1798532

SCHEMBL1798532

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NQO2 P16083 4/20 0.45
WDR5 P61964 1/20 0.45
PTGS2 P35354 1/20 0.45
C1S P09871 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TOP1 P11387 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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 SCHEMBL5788068 0.99 HSD17B1 (0.54) HSD17B1HSD17B2NPC1RAB9APRSS1
SCHEMBL1796738 0.96 NPC1 (0.51) HSD17B1HSD17B2NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL1799501 0.94 NPC1 (0.50) HSD17B1HSD17B2NPC1RAB9APRSS1
SCHEMBL1798151 0.94 PRSS1 (0.54) HSD17B1HSD17B2NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL1799326 0.93 PRSS1 (0.53) HSD17B1HSD17B2NPC1RAB9APRSS1
SCHEMBL14519323 0.92 HSD17B1 (0.50) HSD17B1HSD17B2NPC1RAB9APRSS1
SCHEMBL1797990 0.88 NPC1 (0.67) HSD17B1HSD17B2NPC1RAB9ACASP3
SCHEMBL1797705 0.88 NPC1 (0.67) HSD17B1HSD17B2NPC1RAB9ACASP3
SCHEMBL1796438 0.88 NPC1 (0.55) HSD17B1HSD17B2NPC1RAB9ACASP3
SCHEMBL14519327 0.88 NPC1 (0.47) HSD17B1HSD17B2NPC1RAB9APRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 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 (2 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 4394/4885NPC1 3545/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN HSD17B1 4253/4885HSD17B2 4540/4885NPC1 208/4885

“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.