SCHEMBL4125616

SCHEMBL4125616

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(C(=O)NCc4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BMPR2 Q13873 2/20 0.44
CNR1 P21554 1/20 0.42
RORC P51449 6/20 0.41
RPS6KB1 P23443 1/20 0.41
SIRT2 Q8IXJ6 5/20 0.41
SIRT1 Q96EB6 5/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4137916 0.90 MAPT (0.46) RORCRPS6KB1SIRT2SIRT1TP53
SCHEMBL4122881 0.90 L3MBTL1 (0.48) BMPR2RORCTP53L3MBTL1
SCHEMBL4518317 0.87 RPS6KB1 (0.42) RPS6KB1SIRT2SIRT1TP53MAPT
SCHEMBL4140385 0.86 RPS6KB1 (0.40) RPS6KB1SIRT2SIRT1TP53MAPT
SCHEMBL5776100 0.85 SIRT2 (0.45) RPS6KB1SIRT2SIRT1TP53MAPT
SCHEMBL4123368 0.84 L3MBTL1 (0.51) RPS6KB1SIRT2SIRT1TP53MAPT
SCHEMBL4140386 0.84 SIRT2 (0.42) RPS6KB1SIRT2SIRT1TP53MAPT
SCHEMBL4124652 0.83 SIRT2 (0.42) RPS6KB1SIRT2SIRT1TP53MAPT
SCHEMBL4118974 0.82 RPS6KB1 (0.44) BMPR2RPS6KB1SIRT2SIRT1TP53
SCHEMBL4124971 0.82 L3MBTL1 (0.48) RPS6KB1SIRT2SIRT1TP53MAPT

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 5 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
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US 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 (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 BMPR2 4096/4885CNR1 2567/4885RORC 439/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 BMPR2 4096/4885CNR1 2567/4885RORC 439/4885

“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.