SCHEMBL4137916

SCHEMBL4137916

CCOC(=O)c1ccc2c(c1)nc(-c1ccc3nc(C(=O)Nc4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RPS6KB1 P23443 1/20 0.43
PDE7A Q13946 1/20 0.42
CYP3A4 P08684 3/20 0.41
NR1H4 Q96RI1 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
SIRT2 Q8IXJ6 6/20 0.41
SIRT1 Q96EB6 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT3 Q9NTG7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4125616 0.90 BMPR2 (0.44) MAPTTP53RXFP1RPS6KB1SIRT2
SCHEMBL4518317 0.89 RPS6KB1 (0.42) MAPTTP53RXFP1RPS6KB1NR1H4
SCHEMBL4135559 0.89 L3MBTL1 (0.51) CYP3A4NR1H4CYP2D6CYP2C9L3MBTL1
SCHEMBL4140385 0.89 RPS6KB1 (0.40) MAPTTP53RXFP1RPS6KB1CYP3A4
SCHEMBL5776100 0.87 SIRT2 (0.45) MAPTTP53RXFP1RPS6KB1NR1H4
SCHEMBL4123368 0.86 L3MBTL1 (0.51) MAPTTP53RXFP1RPS6KB1SIRT2
SCHEMBL4140386 0.86 SIRT2 (0.42) MAPTTP53RXFP1RPS6KB1NR1H4
SCHEMBL4124652 0.85 SIRT2 (0.42) MAPTTP53RXFP1RPS6KB1NR1H4
SCHEMBL4118974 0.84 RPS6KB1 (0.44) MAPTTP53RXFP1RPS6KB1CYP3A4
SCHEMBL4124971 0.84 L3MBTL1 (0.48) MAPTTP53RXFP1RPS6KB1SIRT2

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 MAPT 2748/4885TP53 2428/4885RXFP1 4884/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 MAPT 2748/4885TP53 2428/4885RXFP1 4884/4885

“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.