SCHEMBL4195099

SCHEMBL4195099

COC(=O)Nc1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GRIK1 P39086 1/20 0.49
FLT3 P36888 4/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.46
DAO P14920 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
ATP6V1B1 P15313 1/20 0.45

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
SCHEMBL29493370 1.00 NPC1 (0.49) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL27898693 0.87 GRIK1 (0.49) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL31487774 0.83 MTNR1A (0.53) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL4413986 0.83 MTNR1A (0.53) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL9269321 0.81 GRIK1 (0.56) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL5515054 0.79 GRIK1 (0.51) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL5493171 0.79 KDM4E (0.51) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL9121651 0.79 FAAH (0.50) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL34461886 0.79 DRD2 (0.49) NPC1RAB9AGRIK1FLT3LMNA
SCHEMBL4410319 0.79 DRD2 (0.49) NPC1RAB9AGRIK1FLT3LMNA

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
EP-2308303-B1 Fungicidal mixtures BASF SE (DE) 2016-03-16 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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 (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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 NPC1 1859/4885RAB9A 4342/4885GRIK1 3202/4885

“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.