SCHEMBL4122876

SCHEMBL4122876

CN(C(=O)c1ccc2cc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)ccc2n1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
NR1H4 Q96RI1 13/20 0.44
VDR P11473 3/20 0.40
CYP2C9 P11712 4/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 1/20 0.38
IDH1 O75874 2/20 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
SCHEMBL5776100 0.90 SIRT2 (0.45) L3MBTL1NR1H4
SCHEMBL4125821 0.90 L3MBTL1 (0.49) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL4119941 0.90 L3MBTL1 (0.48) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL14383032 0.89 L3MBTL1 (0.58) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL4133794 0.85 L3MBTL1 (0.61) L3MBTL1NR1H4VDRHSD17B10GAA
SCHEMBL4135559 0.85 L3MBTL1 (0.51) L3MBTL1NR1H4CYP2C9KCNH2CYP3A4
SCHEMBL4505559 0.83 L3MBTL1 (0.49) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL4122881 0.83 L3MBTL1 (0.48) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL4123202 0.82 L3MBTL1 (0.64) L3MBTL1NR1H4VDRCYP3A4HSD17B10
SCHEMBL14382768 0.81 L3MBTL1 (0.65) L3MBTL1NR1H4CYP2C9KCNH2CYP3A4

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 8 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-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
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO 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 (1 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 1221/4885NR1H4 774/4885VDR 2346/4885

“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.