SCHEMBL6076757

SCHEMBL6076757

CO/N=C/c1ccc(NC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 6/20 0.59
NOX1 Q9Y5S8 1/20 0.56
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ESRRG P62508 1/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
NR1I2 O75469 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL6076761 1.00 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NOX1LMNA
SCHEMBL11746811 0.82 NOX1 (0.63) RAB9ASMN1; SMN2NPC1NOX1LMNA
SCHEMBL5776502 0.80 NOX1 (0.61) RAB9ASMN1; SMN2NPC1NOX1LMNA
SCHEMBL5776498 0.80 NOX1 (0.61) RAB9ASMN1; SMN2NPC1NOX1LMNA
SCHEMBL7996474 0.79 NOX1 (0.59) RAB9ASMN1; SMN2NPC1NOX1LMNA
SCHEMBL203520 0.77 NOX1 (0.67) RAB9ASMN1; SMN2NPC1NOX1LMNA
SCHEMBL203519 0.77 NOX1 (0.67) RAB9ASMN1; SMN2NPC1NOX1LMNA
SCHEMBL13397720 0.77 SRC (0.61) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL13936435 0.77 SRC (0.50) RAB9ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL687506 0.76 CA12 (0.64) RAB9ASMN1; SMN2NPC1LMNAALDH1A1

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 RAB9A 2755/4885SMN1; SMN2 4612/4885NPC1 130/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 RAB9A 2047/4885SMN1; SMN2 3234/4885NPC1 230/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 RAB9A 3922/4885SMN1; SMN2 2541/4885NPC1 4695/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 RAB9A 3972/4885SMN1; SMN2 2111/4885NPC1 4636/4885

“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.