SCHEMBL4131496

SCHEMBL4131496

c1ccc(-c2ccc3cc(-c4nc5cc(-c6nnn[nH]6)ccc5n4C4CCCCC4)ccc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRL1 P41146 4/20 0.36
CYP11B2 P19099 7/20 0.35
CYP11B1 P15538 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
OPRD1 P41143 2/20 0.33

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
SCHEMBL6398862 0.89 CYP11B2 (0.38) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL4130614 0.89 HPGD (0.38) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL4134597 0.89 HDAC1 (0.37) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL4125421 0.87 CYP11B2 (0.39) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL4123443 0.85 L3MBTL1 (0.35) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL13904986 0.84 OPRL1 (0.45) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL6397709 0.83 CYP11B2 (0.40) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL5797566 0.81 PRKACA (0.41) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL6401070 0.81 KDM4E (0.38) CYP11B2CYP11B1L3MBTL1KDM4EALDH1A1
SCHEMBL4118354 0.80 CYP11B2 (0.42) HDAC1HDAC8HDAC6OPRM1OPRL1

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 HDAC1 358/4885HDAC8 693/4885HDAC6 330/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 HDAC1 358/4885HDAC8 693/4885HDAC6 330/4885

“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.