SCHEMBL4131068

SCHEMBL4131068

Cc1cc2ccc(-c3nc4cc(-c5nnn[nH]5)ccc4n3C3CCCCC3)cc2oc1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B2 P19099 5/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
PRKACA P17612 4/20 0.33
GSK3B P49841 4/20 0.33
RPS6KB1 P23443 4/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSD17B3 P37058 1/20 0.33
ROCK1 Q13464 3/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL13905019 0.83 L3MBTL1 (0.34) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL13905015 0.81 ALDH1A1 (0.34) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL4125421 0.80 CYP11B2 (0.39) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL4130964 0.79 CYP11B2 (0.38) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL4118354 0.79 CYP11B2 (0.42) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL13905028 0.79 CYP11B2 (0.42) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL4137491 0.78 CYP11B2 (0.41) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL4505966 0.78 L3MBTL1 (0.36) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL4130110 0.78 L3MBTL1 (0.35) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL4116998 0.78 CYP11B2 (0.36) L3MBTL1KDM4EALDH1A1MAPTGFER

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 1221/4885KDM4E 2491/4885ALDH1A1 2299/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885KDM4E 2491/4885ALDH1A1 2299/4885

“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.