SCHEMBL4122722

SCHEMBL4122722

Cc1ncc2nc(-c3nc4cc(C(=O)NS(C)(=O)=O)ccc4n3C3CCCCC3)cnc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
OGFRL1 Q5TC84 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCAT2 O15382 8/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
RPS6KB1 P23443 1/20 0.40
TP53 P04637 2/20 0.40
BCAT1 P54687 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 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
SCHEMBL4122805 0.86 L3MBTL1 (0.62) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4130537 0.83 L3MBTL1 (0.46) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6
SCHEMBL5429893 0.82 L3MBTL1 (0.48) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6
SCHEMBL4129664 0.80 L3MBTL1 (0.44) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5438692 0.80 L3MBTL1 (0.46) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6
SCHEMBL4130107 0.79 L3MBTL1 (0.44) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6
SCHEMBL4117344 0.79 HPGD (0.47) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6
SCHEMBL5431162 0.79 L3MBTL1 (0.46) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6
SCHEMBL4510910 0.78 L3MBTL1 (0.46) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6
SCHEMBL13905096 0.78 L3MBTL1 (0.46) L3MBTL1OGFRL1CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US 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
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US 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 1221/4885OGFRL1 4655/4885CYP3A4 52/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885OGFRL1 4655/4885CYP3A4 52/4885

“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.