SCHEMBL4130107

SCHEMBL4130107

CS(=O)(=O)NC(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
BCAT2 O15382 2/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
OGFRL1 Q5TC84 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
PTGER4 P35408 1/20 0.42
TP53 P04637 1/20 0.42
EGFR P00533 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BMPR2 Q13873 1/20 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
SCHEMBL4117344 0.97 HPGD (0.47) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4117358 0.89 L3MBTL1 (0.46) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4131531 0.87 L3MBTL1 (0.56) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4118372 0.87 HPGD (0.43) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4125138 0.87 CYP3A4 (0.48) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL13905120 0.87 CYP3A4 (0.48) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4124665 0.86 BMPR2 (0.44) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL13904940 0.85 CYP3A4 (0.44) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4124811 0.85 CYP3A4 (0.44) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4119032 0.85 OGFRL1 (0.44) L3MBTL1BCAT2HDAC6HDAC1HDAC8

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 1221/4885BCAT2 514/4885HDAC6 330/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885BCAT2 514/4885HDAC6 330/4885

“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.