SCHEMBL13424945

SCHEMBL13424945

O=C(NC1CC1)c1ccc(-c2ccc([C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.52
SIGMAR1 Q99720 4/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
SMYD3 Q9H7B4 2/20 0.46
EPHX1 P07099 1/20 0.46
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
EPHX2 P34913 2/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL3212933 1.00 TMEM97 (0.52) TMEM97SIGMAR1MEN1NPC1RAB9A
SCHEMBL3200557 0.92 DRD2 (0.51) TMEM97SIGMAR1MEN1NPC1RAB9A
SCHEMBL13424924 0.92 DRD2 (0.51) TMEM97SIGMAR1MEN1NPC1RAB9A
SCHEMBL13456002 0.92 TMEM97 (0.53) TMEM97SIGMAR1MEN1NPC1RAB9A
SCHEMBL3212981 0.88 TMEM97 (0.46) TMEM97SIGMAR1MEN1KMT2A
SCHEMBL4997276 0.88 TMEM97 (0.48) TMEM97SIGMAR1
SCHEMBL3212971 0.88 MEN1 (0.53) TMEM97SIGMAR1MEN1KMT2AEPHX1
SCHEMBL13424899 0.88 MEN1 (0.53) TMEM97SIGMAR1MEN1KMT2AEPHX1
SCHEMBL3212764 0.85 SIGMAR1 (0.49) TMEM97SIGMAR1MEN1KMT2AEPHX1
SCHEMBL13424943 0.85 SIGMAR1 (0.49) TMEM97SIGMAR1MEN1KMT2AEPHX1

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-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US 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 TMEM97 4201/4885SIGMAR1 755/4885MEN1 1936/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 TMEM97 4201/4885SIGMAR1 755/4885MEN1 1936/4885

“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.