SCHEMBL2854884

SCHEMBL2854884

COC1CN(c2cccc(C(=O)O)c2)CCC1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KMO O15229 1/20 0.48
NOTUM Q6P988 7/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TTR P02766 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42
MYC P01106 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL2854886 1.00 KMT2A (0.51) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2848417 0.89 GAA (0.46) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2848416 0.89 GAA (0.46) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2850865 0.87 ALDH1A1 (0.48) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2850870 0.87 ALDH1A1 (0.48) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2851019 0.85 GPR119 (0.43) NOTUMDPP4
SCHEMBL2851015 0.85 GPR119 (0.43) NOTUMDPP4
SCHEMBL13787624 0.83 NOTUM (0.41) GAAKDM4EHSD17B10NOTUMUSP2
SCHEMBL2850956 0.78 GRM2 (0.45) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2850955 0.78 GRM2 (0.45) KMT2AALDH1A1MEN1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KMT2A 847/4885ALDH1A1 3596/4885MEN1 3960/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KMT2A 1335/4885ALDH1A1 1220/4885MEN1 3629/4885

“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.