SCHEMBL1797659

SCHEMBL1797659

N=C(N)c1cccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)on2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
C1S P09871 1/20 0.39
F10 P00742 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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 SCHEMBL1799355 0.99 PRSS1 (0.43) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL1801147 0.91 PRSS1 (0.43) PRSS1PRSS2PRSS3NPC1RAB9A
Hydrochloric Acid SCHEMBL1796203 0.90 PRSS1 (0.42) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL1797993 0.90 PRSS1 (0.44) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL1799877 0.90 NPC1 (0.41) NPC1RAB9AMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL1795122 0.89 PRSS1 (0.43) PRSS1PRSS2PRSS3NPC1RAB9A
Hydrochloric Acid SCHEMBL1801311 0.88 TOP2A (0.42) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL1796998 0.85 MAPT (0.45) PRSS1PRSS2PRSS3NPC1RAB9A
Hydrochloric Acid SCHEMBL1796408 0.84 MAPT (0.44) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL1798151 0.83 PRSS1 (0.54) PRSS1PRSS2PRSS3NPC1RAB9A

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 PRSS1 2316/4885PRSS2 3149/4885PRSS3 2061/4885

“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.