SCHEMBL14225445

SCHEMBL14225445

COCn1cnc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GRM2 Q14416 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.37
▸ ADAMTS5 Q9UNA0 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL12458917 0.85 KMT2A (0.42) MEN1KMT2AGRM2MAPK1SMYD3
SCHEMBL14151307 0.85 NOTUM (0.48) MEN1KMT2AKDM4ENOTUM
SCHEMBL7425205 0.84 SMYD3 (0.50) MEN1KMT2AGRM2MAPK1SMYD3
SCHEMBL14151866 0.84 PLA2G4A (0.42) MAPK1SMYD3KDM4EL3MBTL1
SCHEMBL4891287 0.83 MEN1 (0.44) MEN1KMT2AGRM2MAPK1SMYD3
SCHEMBL2282033 0.81 CPB2 (0.45) MEN1KMT2AGRM2MAPK1SMYD3
SCHEMBL2549674 0.81 MEN1 (0.39) MEN1KMT2AGRM2MAPK1SMYD3
SCHEMBL15775548 0.80 MEN1 (0.43) MEN1KMT2AGRM2MAPK1SMYD3
SCHEMBL21361934 0.80 MEN1 (0.43) MEN1KMT2AGRM2MAPK1SMYD3
SCHEMBL21090489 0.79 MEN1 (0.38) MEN1KMT2AGRM2MAPK1SMYD3

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-2537831-B1 IMIDAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-12-03 — — EP disclosed
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 — — US disclosed
US-8653126-B2 Imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-18 — — US disclosed
EP-2537831-A1 IMIDAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-26 — — EP disclosed
US-20120316170-A1 Imidazole Derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2012-12-13 — — US disclosed
US-20120316170-A1 Imidazole Derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2012-12-13 — — 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 (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-20120316170-A1 Imidazole Derivative S1PR2, S1PR1, SPHK2 MEN1 1337/4885KMT2A 2089/4885GRM2 4567/4885

“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.

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