SCHEMBL2156262

SCHEMBL2156262

COC(=O)c1cc2c(s1)c(C1CCCCC1)c1n2CC(=O)COc2ccccc2-1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 5/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 3/20 0.46
GLA P06280 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
MAPT P10636 7/20 0.36
TP53 P04637 4/20 0.34
HTT P42858 2/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL2156745 0.84 PRKCA (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3093361 0.81 PRKCA (0.52) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2156390 0.80 CDK1 (0.35) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2156572 0.78 PRKCA (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2157307 0.78 ALDH1A1 (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL13476321 0.77 PRKCA (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL13476273 0.77 MAOA (0.34) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2157106 0.76 ALDH1A1 (0.36) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2156261 0.76 ALDH1A1 (0.36) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL13476300 0.76 KDM4E (0.39) KDM4EALDH1A1GAAHPGDHSD17B10

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-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US disclosed
EP-1881989-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-01-30 EP disclosed
WO-2006119975-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-11-16 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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 3275/4885ALDH1A1 433/4885GAA 2614/4885

“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.