SCHEMBL6497406

SCHEMBL6497406

CCOC(=O)CCCOc1ccc(NC(C)=O)c(NCc2ccc(OCC)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PDK2 Q15119 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
PABPC1 P11940 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD2 P14416 1/20 0.37
EPHX1 P07099 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL6489796 0.93 MAPT (0.42) BRD4PDK2PDE3BPDE3AP2RY12
SCHEMBL6489966 0.88 BRD4 (0.37) BRD4PDK2PDE3BPDE3AP2RY12
SCHEMBL6829609 0.85 FFAR1 (0.40) BRD4FFAR1FFAR4L3MBTL1TDP1
SCHEMBL6301182 0.83 KMT2A (0.47) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL6501452 0.82 IDO1 (0.41) BRD4PDK2PDE3BPDE3AP2RY12
SCHEMBL6496310 0.81 THRB (0.41) L3MBTL1KMT2ADRD2MEN1
SCHEMBL7070085 0.81 MAPT (0.36) FFAR1FFAR4TDP1MAPTLMNA
SCHEMBL6829611 0.81 FFAR4 (0.39) FFAR1FFAR4TDP1MAPTKMT2A
SCHEMBL6487794 0.81 EPHX2 (0.42) BRD4PDK2PDE3BPDE3AP2RY12
SCHEMBL6492219 0.80 DRD2 (0.36) DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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 (1 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD BRD4 130/4885PDK2 128/4885PDE3B 411/4885

“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.