SCHEMBL493335

SCHEMBL493335

Clc1cccc(Cl)c1-c1ncon1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
GRM5 P41594 2/20 0.31
POLB P06746 1/20 0.31
JAK2 O60674 2/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL30584864 0.78 NPC1 (0.44) KMOALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL10396259 0.78 NPC1 (0.44) KMOALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL28278774 0.75 NPC1 (0.40) KMOPPARALMNAL3MBTL1KMT2A
SCHEMBL1545373 0.71 IDO1 (0.46) KMOMAPTTSHRL3MBTL1KMT2A
SCHEMBL31175951 0.70 TDP1 (0.40) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL18920567 0.69 CYP1A2 (0.43) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL3398203 0.68 KMO (0.47) KMOMAPTTSHRL3MBTL1KMT2A
SCHEMBL493735 0.68 KMO (0.44) KMOPPARAALDH1A1TSHRGRM5
SCHEMBL30207 0.67 PPARA (0.46) KMOPPARAL3MBTL1ADORA3NR1H4
SCHEMBL16394567 0.66 PPARA (0.41) KMOPPARACYP2A6

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 3188/4885PPARA 31/4885ALDH1A1 1349/4885

“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.