SCHEMBL714506

SCHEMBL714506

CCc1c(Cl)ccnc1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MAPK14 Q16539 1/20 0.32
RIPK1 Q13546 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL14784686 0.85 MEN1 (0.36) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL18149947 0.78 KDM4E (0.41) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL16465715 0.76 CDK8 (0.37) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL31116809 0.76 KDM4E (0.40) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL10517816 0.75 RIPK1 (0.42) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL31587670 0.74 L3MBTL1 (0.43) ALDH1A1MAPTL3MBTL1KMT2APKM
SCHEMBL1618833 0.71 PRKCI (0.33) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL712117 0.70 IRAK4 (0.39)
SCHEMBL22863922 0.67 NOS3 (0.38) ALDH1A1MAPTL3MBTL1KMT2AGAA
SCHEMBL22863890 0.66 NOS2 (0.41) ALDH1A1MAPTKDM4ELMNAHPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US 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 (3 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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 ALDH1A1 1028/4885MAPT 4733/4885L3MBTL1 535/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 ALDH1A1 1053/4885MAPT 4704/4885L3MBTL1 299/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 ALDH1A1 1028/4885MAPT 4733/4885L3MBTL1 535/4885

“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.