SCHEMBL4123083

SCHEMBL4123083

NC(=O)C(Cc1ncc[nH]1)NC(=O)c1ccc2cc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
BMPR2 Q13873 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
JAK3 P52333 3/20 0.37
VDR P11473 3/20 0.35
NR1H4 Q96RI1 3/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BCAT2 O15382 2/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL13904787 0.88 L3MBTL1 (0.45) L3MBTL1BMPR2CYP3A4JAK3VDR
SCHEMBL4122708 0.88 L3MBTL1 (0.45) L3MBTL1BMPR2CYP3A4JAK3VDR
SCHEMBL13904496 0.88 L3MBTL1 (0.48) L3MBTL1BMPR2CYP3A4VDRNR1H4
SCHEMBL4117265 0.88 L3MBTL1 (0.48) L3MBTL1BMPR2CYP3A4VDRNR1H4
SCHEMBL13904471 0.87 OPRM1 (0.44) L3MBTL1BMPR2CYP3A4CYP1A2CYP2D6
SCHEMBL13933440 0.83 L3MBTL1 (0.45) L3MBTL1BMPR2CYP3A4CYP1A2CYP2D6
SCHEMBL4124939 0.83 L3MBTL1 (0.52) L3MBTL1BMPR2CYP3A4VDRNR1H4
SCHEMBL13904777 0.82 L3MBTL1 (0.50) L3MBTL1BMPR2CYP3A4VDRNR1H4
SCHEMBL4125106 0.82 L3MBTL1 (0.50) L3MBTL1BMPR2CYP3A4VDRNR1H4
SCHEMBL4133794 0.79 L3MBTL1 (0.61) L3MBTL1BMPR2VDRNR1H4HSD17B10

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
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-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 1221/4885BMPR2 4096/4885CYP3A4 52/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885BMPR2 4096/4885CYP3A4 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.