SCHEMBL1795647

SCHEMBL1795647

O=C(c1cccc(Br)c1)C(Br)C(Br)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRND Q07001 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL5873120 0.92 ALDH1A1 (0.52) PARP1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL1794536 0.92 PARP1 (0.50) PARP1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL1799408 0.87 PARP1 (0.41) PARP1NPC1RAB9AALDH1A1TP53
SCHEMBL28795688 0.84 MEN1 (0.50) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A3
SCHEMBL5873189 0.82 CES2 (0.48) SMN1; SMN2RAB9AALDH1A1CYP1A2HPGD
SCHEMBL1797907 0.81 CYP1A2 (0.48) PARP1SMN1; SMN2NPC1RAB9ACHRNA1
SCHEMBL5873130 0.78 CES2 (0.41) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A3
SCHEMBL5873117 0.77 LMNA (0.50) SMN1; SMN2SLC6A2SLC6A3ALDH1A1TP53
SCHEMBL1799984 0.77 CYP1A2 (0.46) PARP1SMN1; SMN2RAB9ACHRNA1CHRNG
SCHEMBL27991491 0.77 PARP1 (0.57) PARP1SMN1; SMN2NPC1CASP3RAB9A

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 3 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 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 PARP1 483/4885SMN1; SMN2 2470/4885NPC1 3545/4885

“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.