SCHEMBL494436

SCHEMBL494436

O=C(O)c1nc(-c2c(Cl)cccc2Cl)no1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL9782415 0.82 POLB (0.56) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL493024 0.79 CYP2C19 (0.47) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL1326759 0.77 NR1H4 (0.57) ALDH1A1NPC1RAB9ANR1H4
SCHEMBL8344893 0.76 TSHR (0.57) LMNATSHRNPC1RAB9AL3MBTL1
SCHEMBL494418 0.76 TPMT (0.48) TSHRNPC1RAB9AL3MBTL1
SCHEMBL11555365 0.76 AKR1B1 (0.51) ALDH1A1MAPTGAALMNATSHR
SCHEMBL3666186 0.76 ALDH1A1 (0.43) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL493270 0.74 TPMT (0.39) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL494459 0.74 HDAC4 (0.50) NPC1RAB9AKDM4E
SCHEMBL9782395 0.73 RAB9A (0.53) ALDH1A1POLBNPC1RAB9AL3MBTL1

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 ALDH1A1 1349/4885MAPT 1653/4885GAA 445/4885

“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.