SCHEMBL4356105

SCHEMBL4356105

CC(C)(C)OC(=O)NC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ ACACB O00763 2/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ BTK Q06187 4/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ BUB1 O43683 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ MAOA P21397 1/20 0.34

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
SCHEMBL4356106 1.00 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL3367617 0.97 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL3367621 0.97 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL4261324 0.97 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL19857404 0.85 KDM1A (0.34) KDM1AMAOBKMT2AL3MBTL1NPC1
SCHEMBL2942463 0.83 KDM1A (0.39) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL9896982 0.82 BACE1 (0.35) KDM1AMAOB
SCHEMBL16224095 0.82 BACE1 (0.35) KDM1AMAOB
SCHEMBL9896984 0.82 BACE1 (0.35) KDM1AMAOB
SCHEMBL14646990 0.82 KDM1A (0.53) KDM1AMAOBKMT2AL3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — 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 (4 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 KDM1A 1134/4885MAOB 161/4885KMT2A 1453/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R KDM1A 3565/4885MAOB 2147/4885KMT2A 3485/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KDM1A 3565/4885MAOB 2147/4885KMT2A 3485/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R KDM1A 3462/4885MAOB 2497/4885KMT2A 3461/4885

“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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