SCHEMBL3213006

SCHEMBL3213006

O=C(Cc1ccc(Br)cc1)NC1CC1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
ALDH1A1 P00352 4/20 0.67
RAB9A P51151 2/20 0.67
SIGMAR1 Q99720 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.62
NPC1 O15118 1/20 0.60
HTT P42858 1/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
EPHX2 P34913 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51

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
SCHEMBL19254905 0.93 SMN1; SMN2 (0.72) LMNAALDH1A1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL30662307 0.91 SMN1; SMN2 (0.74) LMNAALDH1A1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL2636164 0.89 SIGMAR1 (0.58) LMNAALDH1A1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL16825757 0.89 SIGMAR1 (0.58) LMNAALDH1A1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL1815400 0.82 ALDH1A1 (0.58) LMNAALDH1A1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL13662102 0.81 LMNA (0.69) LMNAALDH1A1RAB9ASIGMAR1NPC1
SCHEMBL12629116 0.81 LMNA (0.69) LMNAALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5357866 0.81 LMNA (0.69) LMNAALDH1A1RAB9ASIGMAR1NPC1
SCHEMBL18307122 0.81 LMNA (0.69) LMNAALDH1A1RAB9ASIGMAR1NPC1
SCHEMBL2469256 0.81 EPHX2 (0.83) LMNAALDH1A1SIGMAR1EPHX2MEN1

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 9 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-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
CN-101331116-A N-(6-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 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
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (3 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 LMNA 233/4885ALDH1A1 1766/4885RAB9A 1092/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L LMNA 1290/4885ALDH1A1 4167/4885RAB9A 609/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 LMNA 233/4885ALDH1A1 1766/4885RAB9A 1092/4885

“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.