SCHEMBL494418

SCHEMBL494418

O=C(O)c1nc(-c2cc(Cl)cc(Cl)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42
DRD1 P21728 1/20 0.42
OPRD1 P41143 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
PTPN1 P18031 1/20 0.40
DUSP3 P51452 1/20 0.40
TSHR P16473 2/20 0.40
KMO O15229 1/20 0.39

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
SCHEMBL8344893 0.83 TSHR (0.57) NPC1RAB9AL3MBTL1TSHRSMPD1
SCHEMBL493603 0.79 KMT2A (0.44) TSHRSMPD1TP53RXFP1
SCHEMBL493270 0.78 TPMT (0.39) TPMTNPC1RAB9AL3MBTL1HCAR1
SCHEMBL25301375 0.78 L3MBTL1 (0.50) TPMTNPC1RAB9AL3MBTL1RXRA
SCHEMBL30497207 0.78 L3MBTL1 (0.50) TPMTNPC1RAB9AL3MBTL1RXRA
SCHEMBL493476 0.77 FABP4 (0.48) NPC1RAB9ATSHR
SCHEMBL1326759 0.77 NR1H4 (0.57) NPC1RAB9ASMPD1S1PR1
SCHEMBL494436 0.76 ALDH1A1 (0.47) NPC1RAB9AL3MBTL1TSHR
SCHEMBL3665206 0.76 DPP4 (0.43) TPMTNPC1RAB9AL3MBTL1RXRA
SCHEMBL494459 0.74 HDAC4 (0.50) NPC1RAB9ADPP4DPP7GRM5

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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD TPMT 832/4885NPC1 519/4885RAB9A 2004/4885

“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.