SCHEMBL2987902

SCHEMBL2987902

COC(=O)c1cc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.41
NR4A2 P43354 1/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PAK4 O96013 1/20 0.39
CSNK2A2 P19784 1/20 0.39
AKT1 P31749 1/20 0.39
PLK1 P53350 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2986582 0.93 PTGS2 (0.42) LMNAALDH1A1HPGDPTGS2RAB9A
SCHEMBL2156447 0.88 RAF1 (0.40) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL2995674 0.88 KDM4E (0.46) ALDH1A1HPGDMEN1KMT2APTGS2
SCHEMBL2868302 0.87 ALDH1A1 (0.40) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL2156359 0.86 LMNA (0.44) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL2157797 0.84 LMNA (0.37) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL3000703 0.83 MAT2A (0.40) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL2859156 0.81 ALDH1A1 (0.38) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL2995078 0.81 HTR2A (0.39) ALDH1A1HPGDPLK1KDM4EL3MBTL1
SCHEMBL2997444 0.81 MAP2 (0.44) PTGS2MAPTESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP disclosed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP disclosed
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO disclosed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT LMNA 3405/4885ALDH1A1 397/4885HPGD 1863/4885

“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.