SCHEMBL13624627

SCHEMBL13624627

O=C1CCCC/C1=N\Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.65
MAPT P10636 9/20 0.65
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 10/20 0.64
GFER P55789 3/20 0.50
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DEPTOR Q8TB45 1/20 0.40

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
SCHEMBL4904052 1.00 GAA (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL4904047 1.00 GAA (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL14366540 0.98 MAPT (0.66) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL5239005 0.98 MAPT (0.66) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL5240047 0.98 MAPT (0.66) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL4238950 0.82 GAA (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114872 0.82 MAPT (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114874 0.82 MAPT (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114859 0.82 ALDH1A1 (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114857 0.82 ALDH1A1 (0.65) GAAMAPTRAB9AALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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 (4 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-20090170906-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 GAA 908/4885MAPT 1187/4885RAB9A 1647/4885
US-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 GAA 1417/4885MAPT 3817/4885RAB9A 2512/4885
US-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 GAA 908/4885MAPT 1187/4885RAB9A 1647/4885
US-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 GAA 908/4885MAPT 1187/4885RAB9A 1647/4885

“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.