SCHEMBL493735

SCHEMBL493735

Clc1cc(Cl)cc(-c2ncon2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
GRM5 P41594 1/20 0.37
TSHR P16473 1/20 0.35
SLC2A1 P11166 1/20 0.33
PPARA Q07869 1/20 0.33
FAAH O00519 1/20 0.32
KCNH2 Q12809 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GFER P55789 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL1545373 0.80 IDO1 (0.46) KMOGRM5TSHR
SCHEMBL3398203 0.78 KMO (0.47) KMOTSHRSLC2A1FAAHKCNH2
SCHEMBL14307563 0.76 GRM5 (0.38) KMOGRM5PPARA
SCHEMBL15013598 0.72 KMO (0.36) KMOPPARA
SCHEMBL1404530 0.70 KMO (0.41) KMOSLC2A1PPARAFAAHKCNH2
SCHEMBL15014651 0.69 CYP1B1 (0.47) TSHRRXRAALDH1A1
SCHEMBL19836179 0.69 S1PR1 (0.41) KMOKCNH2RXRARXRB
SCHEMBL30207 0.68 PPARA (0.46) KMOPPARA
SCHEMBL493335 0.68 KMO (0.42) KMOGRM5TSHRPPARAALDH1A1
SCHEMBL25077143 0.67 NPC1 (0.33) KMOGRM5

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 KMO 3188/4885GRM5 1566/4885TSHR 4051/4885

“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.