SCHEMBL3732787

SCHEMBL3732787

N#CCCc1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHEK1 O14757 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 1/20 0.36
SQOR Q9Y6N5 1/20 0.36

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
SCHEMBL5200837 0.88 FFAR4 (0.39) FFAR1FFAR4NPSR1TSHRMEN1
SCHEMBL3746249 0.80 FFAR1 (0.50) FFAR1FFAR4ALDH1A1NPSR1HPGD
SCHEMBL9284366 0.79 DPP4 (0.50) FFAR1FFAR4MEN1KMT2APDE4A
SCHEMBL759109 0.78 FFAR1 (0.46) FFAR1FFAR4ALDH1A1NPSR1HPGD
SCHEMBL31464099 0.78 FFAR1 (0.46) FFAR1FFAR4ALDH1A1NPSR1HPGD
SCHEMBL14686251 0.75 FFAR1 (0.49) FFAR1FFAR4ALDH1A1NPSR1HPGD
SCHEMBL28630653 0.75 IDO1 (0.50) TP53CHEK1MEN1KMT2ACNR1
SCHEMBL27718714 0.75 FFAR1 (0.46) FFAR1FFAR4ALDH1A1NPSR1HPGD
SCHEMBL28238287 0.75 ADORA3 (0.45) FFAR1FFAR4MEN1KMT2AKDM4E
SCHEMBL3746360 0.74 FFAR4 (0.66) FFAR1FFAR4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 FFAR1 624/4885FFAR4 860/4885ALDH1A1 2185/4885

“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.