SCHEMBL4124939

SCHEMBL4124939

CC(NC(=O)c1ccc2cc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)ccc2n1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 1/20 0.46
BMPR2 Q13873 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
VDR P11473 3/20 0.40
RPS6KB1 P23443 1/20 0.40
TP53 P04637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 1/20 0.38
IDH1 O75874 2/20 0.38
BCAT2 O15382 2/20 0.37

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
SCHEMBL4125106 0.92 L3MBTL1 (0.50) L3MBTL1CYP3A4BMPR2NR1H4VDR
SCHEMBL13904777 0.92 L3MBTL1 (0.50) L3MBTL1CYP3A4BMPR2NR1H4VDR
SCHEMBL4118974 0.90 RPS6KB1 (0.44) L3MBTL1CYP3A4BMPR2RPS6KB1TP53
SCHEMBL13904496 0.89 L3MBTL1 (0.48) L3MBTL1CYP3A4BMPR2NR1H4VDR
SCHEMBL4117265 0.89 L3MBTL1 (0.48) L3MBTL1CYP3A4BMPR2NR1H4VDR
SCHEMBL13904787 0.86 L3MBTL1 (0.45) L3MBTL1CYP3A4BMPR2NR1H4VDR
SCHEMBL4122708 0.86 L3MBTL1 (0.45) L3MBTL1CYP3A4BMPR2NR1H4VDR
SCHEMBL13933440 0.86 L3MBTL1 (0.45) L3MBTL1CYP3A4BMPR2NR1H4VDR
SCHEMBL4133794 0.85 L3MBTL1 (0.61) L3MBTL1BMPR2NR1H4VDRRPS6KB1
SCHEMBL4123083 0.83 L3MBTL1 (0.42) L3MBTL1CYP3A4BMPR2NR1H4VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed
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 1221/4885CYP3A4 52/4885BMPR2 4096/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885CYP3A4 52/4885BMPR2 4096/4885

“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.