SCHEMBL493530

SCHEMBL493530

Clc1ccc(-c2ncon2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
KMO O15229 1/20 0.43
AHR P35869 1/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL28414140 0.84 HSD17B10 (0.41) GRM5KMOMAPTALDH1A1SMN1; SMN2
SCHEMBL8001417 0.82 NPC1 (0.47) KMORAB9ANPC1MAPTHSD11B1
SCHEMBL27742256 0.79 IDO1 (0.41) KMORAB9ANPC1MAPTALDH1A1
SCHEMBL30584864 0.77 NPC1 (0.44) GRM5KMORAB9ANPC1ALDH1A1
SCHEMBL10396259 0.77 NPC1 (0.44) GRM5KMORAB9ANPC1ALDH1A1
SCHEMBL3398203 0.72 KMO (0.47) KMORAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3453300 0.72 GRM5 (0.51) GRM5AHRRAB9ANPC1MAPT
SCHEMBL16787390 0.71 KMO (0.44) KMORAB9ANPC1MAPTALDH1A1
SCHEMBL28432909 0.71 AHR (0.45) GRM5AHRRAB9ANPC1MAPT
SCHEMBL1545373 0.70 IDO1 (0.46) GRM5KMORAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (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 GRM5 1566/4885KMO 3188/4885AHR 2171/4885

“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.