SCHEMBL1801147

SCHEMBL1801147

N=C(N)c1cccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)no2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
F10 P00742 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36

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 SCHEMBL1796203 0.99 PRSS1 (0.42) PRSS1PRSS2PRSS3HSD17B1HSD17B2
SCHEMBL1796998 0.91 MAPT (0.45) PRSS1PRSS2PRSS3HSD17B1HSD17B2
SCHEMBL1797659 0.91 PRSS1 (0.44) PRSS1PRSS2PRSS3HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL1796408 0.90 MAPT (0.44) PRSS1PRSS2PRSS3HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL1799355 0.90 PRSS1 (0.43) PRSS1PRSS2PRSS3HSD17B1HSD17B2
SCHEMBL1800149 0.88 NQO2 (0.44) NPC1RAB9AALDH1A1F10F2
Hydrochloric Acid SCHEMBL1796744 0.87 TOP2A (0.45) NPC1RAB9AALDH1A1PRMT1HPGD
SCHEMBL1798151 0.85 PRSS1 (0.54) PRSS1PRSS2PRSS3HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL1799326 0.84 PRSS1 (0.53) PRSS1PRSS2PRSS3HSD17B1HSD17B2
SCHEMBL1797993 0.84 PRSS1 (0.44) PRSS1PRSS2PRSS3HSD17B1HSD17B2

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.