SCHEMBL2156364

SCHEMBL2156364

O=C(O)c1cc2c(s1)c(C1CCCCC1)c1n2CC(OCCN2CCCC2)Cc2ccccc2-1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GAA P10253 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3567161 0.83 PRKCA (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2156486 0.83 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4389329 0.80 SIGMAR1 (0.34) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL4390041 0.77 ALDH1A1 (0.37) KDM4ESMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL4382196 0.77 NOTUM (0.42) KDM4EALDH1A1LMNAPOLB
SCHEMBL3080110 0.76 PRKCA (0.45) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL13476327 0.76 SIGMAR1 (0.34) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL13476296 0.76 SIGMAR1 (0.34) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4387692 0.76 MMP12 (0.36) KDM4EALDH1A1MMP12MAPK1
SCHEMBL2157307 0.76 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US claimed
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 3275/4885SMN1; SMN2 4123/4885ALDH1A1 433/4885

“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.