SCHEMBL4130126

SCHEMBL4130126

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cc(-c5ccc(Cl)c(Cl)c5)no4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NR1H4 Q96RI1 7/20 0.43
VDR P11473 5/20 0.43
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 2/20 0.36
RPS6KB1 P23443 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4125845 0.91 L3MBTL1 (0.54) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL14382790 0.83 L3MBTL1 (0.63) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL4124520 0.83 L3MBTL1 (0.52) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL4125294 0.81 L3MBTL1 (0.58) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL4134033 0.81 L3MBTL1 (0.52) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL13904523 0.81 L3MBTL1 (0.47) L3MBTL1NR1H4VDRHSD17B10RPS6KB1
SCHEMBL4130835 0.80 L3MBTL1 (0.58) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL4122761 0.80 L3MBTL1 (0.57) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL4125933 0.80 L3MBTL1 (0.51) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL4116517 0.80 L3MBTL1 (0.55) L3MBTL1NR1H4VDRHSD17B10GAA

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
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
EP-1545486-A1 USE OF BUPROPION FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING RESTLESS LEGS SYNDROME Pharmacia & Upjohn Company LLC (US) 2005-06-29 EP disclosed
WO-2004017951-A1 USE OF BUPROPION FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING RESTLESS LEGS SYNDROME PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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 1221/4885NR1H4 774/4885VDR 2346/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885NR1H4 774/4885VDR 2346/4885

“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.