SCHEMBL1542728

SCHEMBL1542728

COc1c(C(=O)NCCCN2CCCC2=O)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
RCE1 Q9Y256 1/20 0.48
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.45
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1542545 0.86 SMYD2 (0.49) ATMCYP3A4
SCHEMBL2127832 0.79 CYP3A4 (0.49) CYP3A4SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL1542669 0.79 CYP3A4 (0.54) NPC1CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL1542583 0.77 CYP3A4 (0.47) CYP3A4MAPK1
SCHEMBL1542439 0.77 CYP3A4 (0.51) L3MBTL1CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL2128506 0.76 CYP3A4 (0.51) CYP3A4ALDH1A1GAA
SCHEMBL1542287 0.76 CYP3A4 (0.44) CYP3A4
SCHEMBL1542600 0.76 CNR1 (0.52) L3MBTL1CYP3A4SMN1; SMN2LMNAALDH1A1
SCHEMBL1542824 0.75 CYP3A4 (0.52) CYP3A4SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL1542671 0.74 CYP3A4 (0.44) CYP3A4

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
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B L3MBTL1 2345/4885RCE1 558/4885NPC1 972/4885

“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.