SCHEMBL2646009

SCHEMBL2646009

O=C(C1CCCCC1)C1CCC[N]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
HSD11B1 P28845 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.31
HSD11B2 P80365 1/20 0.31

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
SCHEMBL2645251 0.98 CES2 (0.39) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4671141 0.75 SLC6A1 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2223583 0.73 CES2 (0.35) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL2225284 0.73 CES2 (0.35) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL9100694 0.73 CES2 (0.35) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL31486636 0.72 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6937404 0.72 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL346017 0.72 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL993393 0.72 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9861947 0.72 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR

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
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 CES2 751/4885CES1 324/4885HDAC8 56/4885

“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.