SCHEMBL3212971

SCHEMBL3212971

O=C(Cc1ccc(-c2ccc(C3CCCN3C(=O)OCc3ccccc3)cc2)cc1)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SIGMAR1 Q99720 6/20 0.52
TMEM97 Q5BJF2 4/20 0.52
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.47
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
ME3 Q16798 1/20 0.45
ADAM17 P78536 1/20 0.45
USP30 Q70CQ3 2/20 0.44
CTSK P43235 1/20 0.44
KLK7 P49862 1/20 0.44

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
SCHEMBL13424899 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1SIGMAR1TMEM97
SCHEMBL13424943 0.92 SIGMAR1 (0.49) MEN1KMT2AALDH1A1SIGMAR1TMEM97
SCHEMBL3212764 0.92 SIGMAR1 (0.49) MEN1KMT2AALDH1A1SIGMAR1TMEM97
SCHEMBL13456000 0.92 SIGMAR1 (0.53) MEN1KMT2AALDH1A1SIGMAR1TMEM97
SCHEMBL3212933 0.88 TMEM97 (0.52) MEN1KMT2ASIGMAR1TMEM97EPHX1
SCHEMBL13424945 0.88 TMEM97 (0.52) MEN1KMT2ASIGMAR1TMEM97EPHX1
SCHEMBL3200557 0.84 DRD2 (0.51) MEN1KMT2ASIGMAR1TMEM97EPHX1
SCHEMBL13424924 0.84 DRD2 (0.51) MEN1KMT2ASIGMAR1TMEM97EPHX1
SCHEMBL3204730 0.82 USP30 (0.47) MEN1KMT2AALDH1A1USP30
SCHEMBL3219079 0.82 USP30 (0.47) MEN1KMT2AALDH1A1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (2 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 MEN1 1936/4885KMT2A 3843/4885ALDH1A1 1766/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 MEN1 1936/4885KMT2A 3843/4885ALDH1A1 1766/4885

“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.