SCHEMBL4124423

SCHEMBL4124423

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccc(I)c(C(=O)N5CCCC5)c4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.42
SIRT1 Q96EB6 7/20 0.42
HPGD P15428 7/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER4 P35408 1/20 0.39
RPS6KB1 P23443 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4124420 0.91 HPGD (0.45) SIRT2SIRT1HPGDALDH1A1GAA
SCHEMBL4117090 0.85 SIRT2 (0.42) SIRT2SIRT1HPGDALDH1A1GAA
SCHEMBL4124971 0.81 L3MBTL1 (0.48) SIRT2SIRT1HPGDALDH1A1MAPT
SCHEMBL4123368 0.79 L3MBTL1 (0.51) SIRT2SIRT1HPGDALDH1A1MAPT
SCHEMBL4118996 0.78 L3MBTL1 (0.50) HPGDL3MBTL1
SCHEMBL4280453 0.77 SIRT2 (0.48) SIRT2SIRT1HPGDALDH1A1MAPT
SCHEMBL13904810 0.75 ALDH1A1 (0.42) SIRT2SIRT1HPGDALDH1A1MAPT
SCHEMBL5514113 0.75 SIRT2 (0.54) SIRT2SIRT1HPGDALDH1A1GAA
SCHEMBL4130835 0.74 L3MBTL1 (0.58) GAAPTGER4RPS6KB1L3MBTL1
SCHEMBL13904640 0.74 L3MBTL1 (0.48) HPGDL3MBTL1

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 SIRT2 1825/4885SIRT1 2539/4885HPGD 3746/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 SIRT2 1825/4885SIRT1 2539/4885HPGD 3746/4885

“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.