SCHEMBL4600261

SCHEMBL4600261

O=C=Nc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MRGPRX4 Q96LA9 9/20 0.45
HPGD P15428 4/20 0.44
PPARG P37231 1/20 0.44
TP53 P04637 2/20 0.44
XBP1 P17861 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
ACP1 P24666 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN13 Q12923 1/20 0.44
SSU72 Q9NP77 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
SCHEMBL11362971 0.86 PPARG (0.54) MAPK1TDP1HPGDPPARG
SCHEMBL15545346 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16478062 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1428432 0.79 TDP1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11526292 0.79 TDP1 (0.56) NPC1RAB9AMAPK1TDP1HPGD
SCHEMBL11868778 0.79 L3MBTL1 (0.55) SMN1; SMN2TDP1MEN1KMT2AMAPT
SCHEMBL11685252 0.78 TDP1 (0.54) NPC1RAB9ASMN1; SMN2MAPK1TDP1
SCHEMBL10734813 0.77 CLCN2 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8926445 0.77 NPC1 (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11870448 0.76 PTGER1 (0.46) NPC1SMN1; SMN2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-4046909-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 US disclosed
US-3998958-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-21 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 NPC1 83/4885RAB9A 649/4885SMN1; SMN2 3140/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH NPC1 2526/4885RAB9A 2724/4885SMN1; SMN2 1943/4885

“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.