SCHEMBL4125330

SCHEMBL4125330

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
VDR P11473 4/20 0.42
NR1H4 Q96RI1 4/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 2/20 0.41
CHEK1 O14757 1/20 0.40
BMPR2 Q13873 1/20 0.40
PTGER4 P35408 2/20 0.40
TP53 P04637 1/20 0.40
IDH1 O75874 2/20 0.39

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
SCHEMBL4117901 0.92 L3MBTL1 (0.56) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL4125294 0.92 L3MBTL1 (0.58) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL4122761 0.91 L3MBTL1 (0.57) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL4116517 0.90 L3MBTL1 (0.55) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL4125933 0.89 L3MBTL1 (0.51) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL14382677 0.89 L3MBTL1 (0.63) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL4126016 0.89 L3MBTL1 (0.54) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL4118996 0.88 L3MBTL1 (0.50) L3MBTL1
SCHEMBL4138274 0.88 L3MBTL1 (0.50) L3MBTL1HDAC1HDAC8HDAC6VDR
SCHEMBL4122864 0.88 L3MBTL1 (0.52) L3MBTL1VDRNR1H4HSD17B10PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1221/4885HDAC1 358/4885HDAC8 693/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885HDAC1 358/4885HDAC8 693/4885

“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.