SCHEMBL2646799

SCHEMBL2646799

CCOCC(=O)N1[CH]CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAMPT P43490 2/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 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
SCHEMBL2645886 0.95 ALDH1A1 (0.41) ALDH1A1HTTMAPTL3MBTL1MEN1
SCHEMBL2645771 0.82 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AATM
SCHEMBL2644912 0.80 L3MBTL1 (0.38) ALDH1A1HTTMAPTL3MBTL1MEN1
SCHEMBL2646658 0.78 L3MBTL1 (0.46) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL360407 0.77 TSHR (0.39) ALDH1A1HTTMAPTL3MBTL1MEN1
SCHEMBL2644263 0.77 ALDH1A1 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL7837036 0.77 L3MBTL1 (0.53) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2646081 0.74
SCHEMBL2645015 0.74 ATM (0.37) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL3710498 0.74 ALDH1A1 (0.57) ALDH1A1HTTMAPTL3MBTL1MEN1

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 ALDH1A1 1188/4885HTT 1433/4885MAPT 3676/4885

“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.