SCHEMBL4124971

SCHEMBL4124971

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(C)ccc3c1)n2C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RPS6KB1 P23443 1/20 0.48
SIRT2 Q8IXJ6 8/20 0.48
SIRT1 Q96EB6 6/20 0.48
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
PTGER4 P35408 5/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL4123368 0.90 L3MBTL1 (0.51) L3MBTL1RPS6KB1SIRT2SIRT1ALDH1A1
SCHEMBL4123202 0.88 L3MBTL1 (0.64) L3MBTL1RPS6KB1PTGER4TP53
SCHEMBL13905259 0.88 L3MBTL1 (0.53) L3MBTL1RPS6KB1ALDH1A1TP53MAPT
SCHEMBL4280453 0.87 SIRT2 (0.48) L3MBTL1RPS6KB1SIRT2SIRT1ALDH1A1
SCHEMBL5514113 0.85 SIRT2 (0.54) L3MBTL1RPS6KB1SIRT2SIRT1ALDH1A1
SCHEMBL4137916 0.84 MAPT (0.46) L3MBTL1RPS6KB1SIRT2SIRT1ALDH1A1
SCHEMBL5518664 0.84 RPS6KB1 (0.56) L3MBTL1RPS6KB1SIRT2SIRT1ALDH1A1
SCHEMBL4135018 0.83 SIRT2 (0.51) L3MBTL1RPS6KB1SIRT2SIRT1PTGER4
SCHEMBL4118974 0.83 RPS6KB1 (0.44) L3MBTL1RPS6KB1SIRT2SIRT1ALDH1A1
SCHEMBL5776100 0.83 SIRT2 (0.45) L3MBTL1RPS6KB1SIRT2SIRT1ALDH1A1

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
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
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 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 L3MBTL1 1221/4885RPS6KB1 3007/4885SIRT2 1825/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885RPS6KB1 3007/4885SIRT2 1825/4885

“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.