SCHEMBL1797705

SCHEMBL1797705

N=C(N)c1ccc(-c2cc(-c3ccccc3)no2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
NQO2 P16083 4/20 0.59
PTGS2 P35354 2/20 0.57
WDR5 P61964 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B1 P14061 1/20 0.50

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
SCHEMBL1797990 1.00 NPC1 (0.67) NPC1RAB9ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1798761 0.98 NPC1 (0.65) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1796438 0.94 NPC1 (0.55) NPC1RAB9ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1795286 0.92 TOP2A (0.56) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1796738 0.90 NPC1 (0.51) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1798532 0.88 HSD17B1 (0.55) NPC1RAB9ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1799501 0.88 NPC1 (0.50) NPC1RAB9ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL5788068 0.87 HSD17B1 (0.54) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL8094911 0.85 NPC1 (0.67) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL14519323 0.84 HSD17B1 (0.50) NPC1RAB9ACASP3SENP8SENP7

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 5 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-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 NPC1 3545/4885RAB9A 1451/4885CASP3 14/4885

“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.