SCHEMBL3000703

SCHEMBL3000703

COC(=O)c1cc2[nH]c(-c3ccccc3)c(C3=CCCCC3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 7/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
UGT1A1 P22309 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34
NR4A2 P43354 1/20 0.33
MAPT P10636 1/20 0.33
CXCR5 P32302 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL2986580 0.90 SLC6A3 (0.39) KDM4ESLC6A2SLC6A3MAPT
SCHEMBL2987902 0.83 LMNA (0.45) ALDH1A1HPGDKDM4EL3MBTL1MEN1
SCHEMBL4877262 0.80 MAPK1 (0.33) MAT2AALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL5441431 0.78 MEN1 (0.54) MAT2AALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL1173877 0.78 KIF11 (0.52) MAT2AALDH1A1HPGDKDM4EMEN1
SCHEMBL2986582 0.78 PTGS2 (0.42) ALDH1A1HPGDKDM4ESLC6A4SLC6A3
SCHEMBL4877033 0.77 KCNH2 (0.35) MAT2A
SCHEMBL2995078 0.75 HTR2A (0.39) ALDH1A1HPGDKDM4EL3MBTL1SLC6A3
SCHEMBL2987900 0.74 HTR2A (0.39) MAT2AALDH1A1HPGDKDM4ESLC6A3
SCHEMBL2156447 0.73 RAF1 (0.40) ALDH1A1HPGDKDM4EL3MBTL1MEN1

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 3 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

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 MAT2A 1649/4885ALDH1A1 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.