SCHEMBL4119939

SCHEMBL4119939

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(C(=O)NC4(c5ccc(Cl)cc5)CCCCC4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NR1H4 Q96RI1 12/20 0.43
CYP2C9 P11712 6/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 2/20 0.38
MAPK8 P45983 1/20 0.38
VDR P11473 2/20 0.37

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
SCHEMBL4140385 0.90 RPS6KB1 (0.40) L3MBTL1CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL4135559 0.87 L3MBTL1 (0.51) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL4122881 0.85 L3MBTL1 (0.48) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL4505559 0.83 L3MBTL1 (0.49) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL4133794 0.83 L3MBTL1 (0.61) L3MBTL1NR1H4HSD17B10GAAVDR
SCHEMBL4122876 0.81 L3MBTL1 (0.52) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL4119941 0.81 L3MBTL1 (0.48) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL4125821 0.79 L3MBTL1 (0.49) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL14382768 0.79 L3MBTL1 (0.65) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL13904537 0.79 L3MBTL1 (0.52) L3MBTL1NR1H4CYP2C9CYP3A4CYP2D6

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 4 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-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 1221/4885NR1H4 774/4885CYP2C9 273/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885NR1H4 774/4885CYP2C9 273/4885

“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.