SCHEMBL6404694

SCHEMBL6404694

O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(c1)nc(-c1cnc3ncc(-c4ccccc4)cc3c1)n2C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
BCAT2 O15382 2/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 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
BRD4 O60885 1/20 0.40
P4HTM Q9NXG6 1/20 0.39
EGFR P00533 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 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
SCHEMBL5440286 0.90 L3MBTL1 (0.46) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL5430830 0.86 L3MBTL1 (0.60) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL13905099 0.85 L3MBTL1 (0.46) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4129664 0.84 L3MBTL1 (0.44) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4117565 0.84 L3MBTL1 (0.45) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4125831 0.84 L3MBTL1 (0.47) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL5438692 0.82 L3MBTL1 (0.46) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL6686467 0.81 BCL2L1 (0.51) L3MBTL1PTGER4
SCHEMBL4119342 0.81 L3MBTL1 (0.44) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4117074 0.80 PTGER4 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US 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-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.