SCHEMBL4131037

SCHEMBL4131037

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2[C@H]1CCCC[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER4 P35408 11/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5AP P20292 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4131045 1.00 HPGD (0.45) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL4131041 1.00 HPGD (0.45) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL13920745 1.00 HPGD (0.45) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL4131531 0.89 L3MBTL1 (0.56) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL4129042 0.86 EGFR (0.47) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL13920746 0.86 EGFR (0.47) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL4129048 0.86 EGFR (0.47) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL4116973 0.85 L3MBTL1 (0.56) HPGDL3MBTL1PTGER4NPC1RAB9A
SCHEMBL4125095 0.80 L3MBTL1 (0.46) HPGDL3MBTL1
SCHEMBL4130188 0.79 RAB9A (0.60) HPGDL3MBTL1PTGER4NPC1RAB9A

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-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 HPGD 3746/4885L3MBTL1 1221/4885PTGER4 4135/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 HPGD 3746/4885L3MBTL1 1221/4885PTGER4 4135/4885

“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.