SCHEMBL2996276

SCHEMBL2996276

COC(=O)Cn1c(-c2ccoc2)c(-c2ccccc2)c2sc(C(=O)OC(C)(C)C)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RCE1 Q9Y256 1/20 0.33
MAPT P10636 3/20 0.32
NR4A2 P43354 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GRM6 O15303 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL5233022 0.90 KDM4E (0.38) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL2998711 0.83 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL2996273 0.82 SCN9A (0.38) KDM4EHSD17B10TSHR
SCHEMBL2157504 0.82 KDM4E (0.39) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL2157334 0.81 ALDH1A1 (0.35) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL2988628 0.78 KDM4E (0.38) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL2156729 0.78 MAPT (0.39) ALDH1A1LMNAKDM4EKMT2AHSD17B10
SCHEMBL2994236 0.76 GRIN2B (0.35) ALDH1A1LMNA
SCHEMBL2994395 0.75 KDM4E (0.47) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL2156914 0.74 ALDH1A1 (0.39) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A

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-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

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 ALDH1A1 397/4885LMNA 3405/4885KDM4E 3250/4885

“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.