SCHEMBL4131523

SCHEMBL4131523

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4Br)ccc3c1)n2C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
BCAT2 O15382 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGER4 P35408 6/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 2/20 0.40
BCAT1 P54687 1/20 0.40
VDR P11473 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
IDH1 O75874 2/20 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
SCHEMBL13904512 0.91 L3MBTL1 (0.54) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL4125294 0.89 L3MBTL1 (0.58) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL4123238 0.89 L3MBTL1 (0.52) L3MBTL1HDAC1HDAC8HDAC6PTGER4
SCHEMBL4122761 0.88 L3MBTL1 (0.57) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL4119412 0.88 L3MBTL1 (0.53) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL13904502 0.88 L3MBTL1 (0.51) L3MBTL1HDAC1HDAC8HDAC6PTGER4
SCHEMBL4117484 0.88 L3MBTL1 (0.51) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL4123459 0.87 L3MBTL1 (0.54) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL4119661 0.87 L3MBTL1 (0.50) L3MBTL1BCAT2PTGER4HSD17B10VDR
SCHEMBL13904635 0.87 L3MBTL1 (0.49) L3MBTL1BCAT2HDAC1HDAC8HDAC6

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
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
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 L3MBTL1 1221/4885BCAT2 514/4885HDAC1 358/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885BCAT2 514/4885HDAC1 358/4885

“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.