SCHEMBL2645548

SCHEMBL2645548

CNCC(=O)N1[CH]CCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2645234 0.94 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL2644722 0.82 DPP4 (0.41) ATMSMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL2645433 0.80 DPP4 (0.43) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL2644912 0.79 L3MBTL1 (0.38) ATMSMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL2645771 0.78 ALDH1A1 (0.36) ATMALDH1A1TSHRKMT2A
SCHEMBL2646658 0.77 L3MBTL1 (0.46) ATMSMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL2645265 0.76 DPP4 (0.42) ALDH1A1
SCHEMBL2645015 0.76 ATM (0.37) ATMSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL7837036 0.76 L3MBTL1 (0.53) ATMSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL7450124 0.75 MEN1 (0.45) SMN1; SMN2ALDH1A1L3MBTL1TSHRMEN1

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 ATM 896/4885SMN1; SMN2 832/4885ALDH1A1 1188/4885

“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.