SCHEMBL2156572

SCHEMBL2156572

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIK3CA P42336 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
MCHR1 Q99705 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 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
SCHEMBL2156763 0.94 PRKCA (0.54) PRKCAMMP12KDM4EALDH1A1GAA
SCHEMBL2156745 0.85 PRKCA (0.44) PRKCAMMP12KDM4EALDH1A1GAA
SCHEMBL3092202 0.85 PRKCA (0.67) PRKCAMMP12KDM4EALDH1A1HPGD
SCHEMBL2156262 0.78 KDM4E (0.46) PRKCAMMP12KDM4EALDH1A1GAA
SCHEMBL4388398 0.76 PRKCA (0.48) PRKCAMMP12KDM4EALDH1A1GAA
SCHEMBL3098597 0.76 PRKCA (0.55) PRKCAMMP12
SCHEMBL2157532 0.76 PRKCA (0.36) PRKCAMMP12KDM4EALDH1A1GAA
Trifluoroacetic Acid SCHEMBL1244063 0.76 PRKCA (0.73) PRKCAMMP12
SCHEMBL3092955 0.75 PRKCA (0.76) PRKCAMMP12
SCHEMBL3088994 0.75 PRKCA (0.56) PRKCAMMP12KDM4EALDH1A1HPGD

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-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

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 PRKCA 3320/4885MMP12 4441/4885KDM4E 3275/4885

“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.