SCHEMBL2964453

SCHEMBL2964453

CC#CCn1c(Br)nc(C(=O)OCC)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.33
MAPK1 P28482 1/20 0.33
TARBP2 Q15633 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL13217488 0.85 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL3198143 0.84 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL2956803 0.80 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL3196117 0.72 KDM4E (0.34) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL6409214 0.71 ALDH1A1 (0.34) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL4245735 0.70 NPSR1 (0.39) MAPTNPSR1POLB
SCHEMBL8278554 0.69 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL24553235 0.68 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4813254 0.68 NPSR1 (0.36) NPSR1
SCHEMBL13217093 0.67 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 KDM4E 4327/4885ALDH1A1 1186/4885HSD17B10 3580/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 KDM4E 3658/4885ALDH1A1 1467/4885HSD17B10 3794/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KDM4E 1159/4885ALDH1A1 3230/4885HSD17B10 1746/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KDM4E 2115/4885ALDH1A1 686/4885HSD17B10 2805/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KDM4E 2115/4885ALDH1A1 686/4885HSD17B10 2805/4885

“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.