SCHEMBL2645441

SCHEMBL2645441

CN(C)C(=O)c1ncccc1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MYC P01106 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
PDE10A Q9Y233 1/20 0.35
GAA P10253 1/20 0.35
DDB1 Q16531 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
SCHEMBL2140821 0.81 EGLN2 (0.47) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL14818757 0.81 NOS3 (0.45) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL10094242 0.80 GABRA1 (0.38) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL10496223 0.80 L3MBTL1 (0.61) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL1228351 0.79 GRM4 (0.43) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL4212744 0.79 KDM4E (0.40) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
Water SCHEMBL30631886 0.79 EGLN2 (0.46) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL24246905 0.78 KDM4E (0.46) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL5032078 0.77 MAP4K1 (0.37) KDM4EALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL14803563 0.77 P2RY1 (0.44) KDM4EALDH1A1L3MBTL1MAPTCYP3A4

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 KDM4E 2940/4885ALDH1A1 1188/4885L3MBTL1 2125/4885

“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.