SCHEMBL6487724

SCHEMBL6487724

CCOC(=O)C(C)(C)CCOc1ccc(NC(C)=O)c(NCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
PPARA Q07869 2/20 0.36
CYP3A4 P08684 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
GAA P10253 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CD38 P28907 1/20 0.35

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
SCHEMBL6492219 0.91 DRD2 (0.36)
SCHEMBL6489796 0.84 MAPT (0.42) HDAC1HDAC8HDAC6HRH3ALDH1A1
SCHEMBL6501155 0.80 L3MBTL1 (0.42) ALDH1A1CYP3A4CYP1A2MEN1KMT2A
SCHEMBL7064560 0.78 HRH3 (0.39) HDAC1HDAC8HDAC6HRH3NPC1
SCHEMBL6497406 0.78 BRD4 (0.41) MAPTLMNACYP1A2MEN1KMT2A
SCHEMBL6501452 0.77 IDO1 (0.41) HDAC1HDAC8HDAC6HRH3ALDH1A1
SCHEMBL6301593 0.77 HDAC1 (0.54) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL7129648 0.77 LMNA (0.37) HDAC1HDAC8HDAC6HRH3NPC1
SCHEMBL6496800 0.77 TDP1 (0.38) ALDH1A1MAPTNPC1LMNACYP1A2
SCHEMBL7129639 0.76 HDAC1 (0.38) HDAC1HDAC8HDAC6HRH3ALDH1A1

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 HDAC1 50/4885HDAC8 114/4885HDAC6 190/4885

“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.