SCHEMBL4124652

SCHEMBL4124652

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(C(=O)N(c4ccc(Cl)cc4)C(C)C)ccc3c1)n2C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.42
SIRT1 Q96EB6 7/20 0.42
RPS6KB1 P23443 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT3 Q9NTG7 1/20 0.38
PTGER4 P35408 2/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
VDR P11473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5776100 0.91 SIRT2 (0.45) SIRT2SIRT1RPS6KB1NR1H4L3MBTL1
SCHEMBL4125821 0.90 L3MBTL1 (0.49) NR1H4L3MBTL1VDR
SCHEMBL4140386 0.89 SIRT2 (0.42) SIRT2SIRT1RPS6KB1NR1H4L3MBTL1
SCHEMBL4137916 0.85 MAPT (0.46) SIRT2SIRT1RPS6KB1NR1H4L3MBTL1
SCHEMBL4123368 0.84 L3MBTL1 (0.51) SIRT2SIRT1RPS6KB1L3MBTL1PTGER4
SCHEMBL4125616 0.83 BMPR2 (0.44) SIRT2SIRT1RPS6KB1L3MBTL1TP53
SCHEMBL4518317 0.82 RPS6KB1 (0.42) SIRT2SIRT1RPS6KB1NR1H4L3MBTL1
SCHEMBL4140385 0.82 RPS6KB1 (0.40) SIRT2SIRT1RPS6KB1L3MBTL1SIRT3
SCHEMBL4124971 0.81 L3MBTL1 (0.48) SIRT2SIRT1RPS6KB1L3MBTL1PTGER4
SCHEMBL4122876 0.81 L3MBTL1 (0.52) NR1H4L3MBTL1VDR

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 2539/4885RPS6KB1 3007/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 SIRT2 1825/4885SIRT1 2539/4885RPS6KB1 3007/4885

“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.