SCHEMBL8974493

SCHEMBL8974493

[C-]#[N+]c1ccc(-c2ccc(Br)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 1/20 0.36
METAP2 P50579 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 2/20 0.34
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SPR P35270 1/20 0.31

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
SCHEMBL19933574 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1416706 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13019607 0.75 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31243288 0.75 NPC1 (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12523554 0.75 MAPK1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18555439 0.75 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28577194 0.75 NPC1 (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2649332 0.75 NPC1 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2319868 0.75 KDM1A (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL386532 0.75 MEN1 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT NPC1 1749/4885RAB9A 1623/4885SMN1; SMN2 4834/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS NPC1 688/4885RAB9A 734/4885SMN1; SMN2 4870/4885

“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.