SCHEMBL4118166

SCHEMBL4118166

CCOC(=O)c1cnc2c(c1)nc(-c1ccc3nc(-c4ccccc4Br)ccc3c1)n2C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PIK3CA P42336 2/20 0.37
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36
OGFRL1 Q5TC84 3/20 0.36
OPRD1 P41143 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
GRK6 P43250 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.36
MTOR P42345 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL4125773 0.89 L3MBTL1 (0.38) HPGDNR1H4CDK4BMPR2
SCHEMBL4118168 0.85 SIRT2 (0.47) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL13905185 0.83 LMNA (0.37) NPC1RAB9APIK3CAALDH1A1LMNA
SCHEMBL13904704 0.78 L3MBTL1 (0.37) OPRM1OPRD1HPGDNR1H4BMPR2
SCHEMBL4131523 0.78 L3MBTL1 (0.52) NR1H4
SCHEMBL4125775 0.74 AKT1 (0.38) SIRT2SIRT1
SCHEMBL13905193 0.73 NR1H4 (0.39) ALDH1A1KDM4EHPGDNR1H4
SCHEMBL4124971 0.72 L3MBTL1 (0.48) OPRM1OPRK1OGFRL1OPRD1ALDH1A1
SCHEMBL13905178 0.72 NR1H4 (0.36) PIK3CAOPRM1OPRD1HPGDMTOR
SCHEMBL4124420 0.71 HPGD (0.45) ALDH1A1MAPTHPGDMAPK1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 149/4885RAB9A 893/4885PIK3CA 1303/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 NPC1 149/4885RAB9A 893/4885PIK3CA 1303/4885

“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.