SCHEMBL4131531

SCHEMBL4131531

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PTGER4 P35408 4/20 0.43
HCAR3 P49019 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
VDR P11473 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
TP53 P04637 1/20 0.41
BCAT2 O15382 1/20 0.41

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
SCHEMBL4116973 0.96 L3MBTL1 (0.56) L3MBTL1HPGDHSD17B10GAAHDAC1
SCHEMBL4129048 0.92 EGFR (0.47) L3MBTL1HPGDPTGER4NPC1RAB9A
SCHEMBL4129042 0.92 EGFR (0.47) L3MBTL1HPGDPTGER4NPC1RAB9A
SCHEMBL13920746 0.92 EGFR (0.47) L3MBTL1HPGDPTGER4NPC1RAB9A
SCHEMBL4125095 0.90 L3MBTL1 (0.46) L3MBTL1HPGDTP53BCAT2
SCHEMBL13905293 0.89 HPGD (0.52) L3MBTL1HPGDHDAC1HDAC8HDAC6
SCHEMBL4131037 0.89 HPGD (0.45) L3MBTL1HPGDHSD17B10GAAPTGER4
SCHEMBL4131041 0.89 HPGD (0.45) L3MBTL1HPGDHSD17B10GAAPTGER4
SCHEMBL4131045 0.89 HPGD (0.45) L3MBTL1HPGDHSD17B10GAAPTGER4
SCHEMBL13920745 0.89 HPGD (0.45) L3MBTL1HPGDHSD17B10GAAPTGER4

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 10 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
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 1221/4885HPGD 3746/4885HSD17B10 868/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885HPGD 3746/4885HSD17B10 868/4885

“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.