SCHEMBL6399997

SCHEMBL6399997

O=C(O)c1ccc2c(c1)nc(-c1cnc3nc(-c4ccccc4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
HCAR3 P49019 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGER4 P35408 3/20 0.42
BCAT2 O15382 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
IDH1 O75874 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 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
SCHEMBL5430830 0.89 L3MBTL1 (0.60) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL6400473 0.88 L3MBTL1 (0.62) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL4125294 0.87 L3MBTL1 (0.58) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL5440286 0.87 L3MBTL1 (0.46) L3MBTL1HDAC1HDAC8HDAC6PTGER4
SCHEMBL4122761 0.86 L3MBTL1 (0.57) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL4120008 0.86 L3MBTL1 (0.59) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL14382557 0.84 L3MBTL1 (0.59) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL4134725 0.84 L3MBTL1 (0.60) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL4119020 0.84 L3MBTL1 (0.57) L3MBTL1HSD17B10GAAHCAR3HDAC1
SCHEMBL14382666 0.84 L3MBTL1 (0.70) L3MBTL1HSD17B10GAAHCAR3HDAC1

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 1221/4885HSD17B10 868/4885GAA 1157/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885HSD17B10 868/4885GAA 1157/4885

“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.