SCHEMBL4134446

SCHEMBL4134446

O=C(NCCS(=O)(=O)O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMPR2 Q13873 2/20 0.44
BCAT2 O15382 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGER4 P35408 1/20 0.38
YEATS4 O95619 1/20 0.38
KCNH2 Q12809 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
SCHEMBL4118372 0.89 HPGD (0.43) BMPR2BCAT2L3MBTL1MEN1KMT2A
SCHEMBL4117358 0.86 L3MBTL1 (0.46) BMPR2BCAT2L3MBTL1HDAC6HDAC1
SCHEMBL4117565 0.86 L3MBTL1 (0.45) BMPR2BCAT2L3MBTL1HDAC6HDAC1
SCHEMBL13920639 0.85 OGFRL1 (0.47) BMPR2BCAT2L3MBTL1HDAC6HDAC1
SCHEMBL4125847 0.85 OGFRL1 (0.47) BMPR2BCAT2L3MBTL1HDAC6HDAC1
SCHEMBL4125294 0.85 L3MBTL1 (0.58) BCAT2L3MBTL1HDAC6HDAC1HDAC8
SCHEMBL4122761 0.84 L3MBTL1 (0.57) BCAT2L3MBTL1HDAC6HDAC1HDAC8
SCHEMBL4120836 0.81 CYP3A4 (0.45) BMPR2BCAT2L3MBTL1MEN1KMT2A
SCHEMBL4125496 0.81 CYP3A4 (0.43) BMPR2BCAT2L3MBTL1HDAC6HDAC1
SCHEMBL13920651 0.81 CYP3A4 (0.43) BMPR2BCAT2L3MBTL1HDAC6HDAC1

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 BMPR2 4096/4885BCAT2 514/4885L3MBTL1 1221/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 BMPR2 4096/4885BCAT2 514/4885L3MBTL1 1221/4885

“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.