SCHEMBL3739418

SCHEMBL3739418

O=C(CCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
ERCC5 P28715 2/20 0.54
FEN1 P39748 2/20 0.54
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
FFAR1 O14842 1/20 0.49
CYP3A4 P08684 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1404500 0.82 MAPK1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL11696479 0.80 KMT2A (0.52) ALDH1A1MAPK1HIF1ATSHRKDM4E
SCHEMBL2211446 0.80 ALDH1A1 (0.67) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL11755601 0.80 ALDH1A1 (0.72) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL481408 0.79 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL2125979 0.79 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL4516558 0.79 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL2256259 0.79 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL11696490 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL6203848 0.78 DRD2 (0.51) GPR84POLBPLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 ALDH1A1 1610/4885MAPK1 2009/4885HIF1A 390/4885

“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.