SCHEMBL4125933

SCHEMBL4125933

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cccc(-c5ccc(Cl)cc5)c4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
NR1H4 Q96RI1 12/20 0.45
VDR P11473 4/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
KCNH2 Q12809 2/20 0.39
HCAR3 P49019 1/20 0.39
BMPR2 Q13873 1/20 0.39
PTGER4 P35408 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
SCHEMBL4122761 0.90 L3MBTL1 (0.57) L3MBTL1NR1H4VDRHDAC1HDAC8
SCHEMBL4125294 0.90 L3MBTL1 (0.58) L3MBTL1NR1H4VDRHDAC1HDAC8
SCHEMBL4125330 0.89 L3MBTL1 (0.53) L3MBTL1NR1H4VDRHDAC1HDAC8
SCHEMBL13904502 0.88 L3MBTL1 (0.51) L3MBTL1NR1H4VDRHDAC1HDAC8
SCHEMBL4116517 0.88 L3MBTL1 (0.55) L3MBTL1NR1H4VDRHDAC1HDAC8
SCHEMBL4125845 0.88 L3MBTL1 (0.54) L3MBTL1NR1H4VDRCYP2C9CYP3A4
SCHEMBL13904537 0.87 L3MBTL1 (0.52) L3MBTL1NR1H4VDRCYP2C9CYP3A4
SCHEMBL13904837 0.87 L3MBTL1 (0.51) L3MBTL1NR1H4VDRCYP2C9CYP3A4
SCHEMBL4125098 0.86 L3MBTL1 (0.51) L3MBTL1NR1H4VDRPTGER4
SCHEMBL4118996 0.86 L3MBTL1 (0.50) L3MBTL1

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 13 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 claimed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US claimed
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO 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

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.