SCHEMBL4288972

SCHEMBL4288972

O=C(O)c1ccc2c(c1)ncn2C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
HSD17B10 Q99714 1/20 1.00
HPGD P15428 9/20 0.72
ALDH1A1 P00352 7/20 0.72
NPC1 O15118 3/20 0.72
HCAR3 P49019 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL4437592 0.93 GAA (0.86) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL29784271 0.93 GAA (0.86) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL31208320 0.86 GAA (0.76) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30497313 0.86 GAA (0.75) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL6840229 0.84 GAA (0.72) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30497269 0.82 GAA (0.70) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL28432074 0.82 GAA (0.70) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL3356723 0.82 GAA (0.69) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL8034470 0.81 HSD17B10 (0.68) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL14723167 0.81 GAA (0.68) GAAHSD17B10HPGDALDH1A1NPC1

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 GAA 1157/4885HSD17B10 868/4885HPGD 3746/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 GAA 1157/4885HSD17B10 868/4885HPGD 3746/4885

“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.