SCHEMBL494459

SCHEMBL494459

O=C(O)c1nc(-c2ccc(Cl)cc2Cl)no1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALPL P05186 1/20 0.48
SRD5A2 P31213 1/20 0.47
RARA P10276 8/20 0.46
RARB P10826 8/20 0.46
RARG P13631 8/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MARS1 P56192 1/20 0.44
GRM5 P41594 1/20 0.44
S1PR1 P21453 1/20 0.44
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL28816298 0.84 ALPL (0.50) HDAC4HDAC6ALPLNPC1RAB9A
SCHEMBL492888 0.82 SHMT1 (0.48) HDAC4HDAC6KDM4ENPC1RAB9A
SCHEMBL5143263 0.81 TTR (0.55) HDAC4HDAC6
SCHEMBL28816278 0.80 HTT (0.56) HDAC4HDAC6KDM4ENPC1RAB9A
SCHEMBL493217 0.80 GCGR (0.49) HDAC4HDAC6
SCHEMBL3663700 0.78 HDAC4 (0.47) HDAC4HDAC6ALPLSRD5A2RARA
SCHEMBL8344893 0.78 TSHR (0.57) NPC1RAB9ASMN1; SMN2
SCHEMBL493270 0.76 TPMT (0.39) RARARARBRARGNPC1RAB9A
SCHEMBL494418 0.74 TPMT (0.48) NPC1RAB9AGRM5S1PR1DPP4
SCHEMBL14363629 0.74 CASP3 (0.49) HDAC4HDAC6NPC1RAB9ASMN1; SMN2

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 HDAC4 275/4885HDAC6 43/4885ALPL 333/4885

“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.