SCHEMBL4129907

SCHEMBL4129907

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cc(Cl)c3c1)n2C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.49
SIRT1 Q96EB6 3/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PTGER4 P35408 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PDE2A O00408 1/20 0.44
SMYD3 Q9H7B4 2/20 0.44
RPS6KB1 P23443 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42

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
SCHEMBL4125502 0.86 RAB9A (0.66) SIRT2SIRT1NPC1RAB9APTGER4
SCHEMBL4130188 0.86 RAB9A (0.60) SIRT2SIRT1NPC1RAB9APTGER4
SCHEMBL4123043 0.83 L3MBTL1 (0.52) PTGER4L3MBTL1
SCHEMBL4135018 0.83 SIRT2 (0.51) SIRT2SIRT1NPC1RAB9APTGER4
SCHEMBL4129617 0.81 L3MBTL1 (0.59) PTGER4L3MBTL1
SCHEMBL5513984 0.81 SIRT2 (0.56) SIRT2SIRT1NPC1RAB9APTGER4
SCHEMBL5513980 0.81 SIRT2 (0.56) SIRT2SIRT1NPC1RAB9APTGER4
SCHEMBL5514113 0.80 SIRT2 (0.54) SIRT2SIRT1L3MBTL1PDE2ARPS6KB1
SCHEMBL4280453 0.80 SIRT2 (0.48) SIRT2SIRT1NPC1RAB9APTGER4
SCHEMBL4124971 0.80 L3MBTL1 (0.48) SIRT2SIRT1PTGER4L3MBTL1RPS6KB1

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 2539/4885NPC1 149/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 SIRT2 1825/4885SIRT1 2539/4885NPC1 149/4885

“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.