SCHEMBL4133875

SCHEMBL4133875

O=C(O)c1ccc2c(c1)nc(-c1ccc3c(c1)CCCC3)n2C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 3/20 0.48
OGFRL1 Q5TC84 1/20 0.46
IDH1 O75874 2/20 0.44
PTGER4 P35408 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RPS6KB1 P23443 1/20 0.42
TP53 P04637 1/20 0.41
BCAT2 O15382 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL4134658 0.91 L3MBTL1 (0.53) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL14382664 0.86 L3MBTL1 (0.71) L3MBTL1HSD17B10GAAHCAR3IDH1
SCHEMBL27574019 0.84 L3MBTL1 (0.69) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL14613999 0.84 L3MBTL1 (0.72) L3MBTL1HSD17B10GAAHCAR3IDH1
SCHEMBL27672880 0.84 L3MBTL1 (0.69) L3MBTL1HSD17B10GAAHCAR3IDH1
SCHEMBL4126373 0.84 L3MBTL1 (0.60) L3MBTL1HSD17B10GAAHCAR3OGFRL1
SCHEMBL4125471 0.84 L3MBTL1 (0.65) L3MBTL1HSD17B10GAAHCAR3IDH1
SCHEMBL14613993 0.84 L3MBTL1 (0.71) L3MBTL1HSD17B10GAAHCAR3IDH1
SCHEMBL14382607 0.84 L3MBTL1 (0.64) L3MBTL1HSD17B10GAAHCAR3IDH1
SCHEMBL5508908 0.83 L3MBTL1 (0.67) L3MBTL1HSD17B10GAAHCAR3IDH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.