SCHEMBL6076987

SCHEMBL6076987

CO/N=C/c1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
CHRM5 P08912 2/20 0.62
PKM P14618 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
GRM5 P41594 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
NFE2L2 Q16236 9/20 0.52
SRC P12931 2/20 0.50
RELA Q04206 1/20 0.50
PTGS1 P23219 2/20 0.49
MAOB P27338 1/20 0.47
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 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
SCHEMBL6076991 1.00 NPC1 (0.62) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL4595327 0.81 NPC1 (0.62) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL13128152 0.79 SRC (0.47) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL12756964 0.78 NPC1 (0.64) NPC1RAB9ACHRM5CYP1A2MAPK1
SCHEMBL21231607 0.78 NPC1 (0.69) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL29392337 0.77 NPC1 (1.00) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL12497017 0.77 NPC1 (1.00) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL12017614 0.77 NPC1 (1.00) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL10706418 0.77 SRC (0.50) NPC1RAB9ACHRM5PKMCYP1A2
SCHEMBL12756970 0.77 CHRM5 (0.72) NPC1RAB9ACHRM5CYP1A2CYP3A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO 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 (4 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF NPC1 130/4885RAB9A 2755/4885CHRM5 4788/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 NPC1 230/4885RAB9A 2047/4885CHRM5 4703/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 NPC1 4695/4885RAB9A 3922/4885CHRM5 893/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 NPC1 4636/4885RAB9A 3972/4885CHRM5 1474/4885

“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.