SCHEMBL3367617

SCHEMBL3367617

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ ACACB O00763 3/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL3367621 1.00 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL4261324 1.00 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL4356105 0.97 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL4356106 0.97 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL2942463 0.86 KDM1A (0.39) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL14646990 0.85 KDM1A (0.53) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL19857404 0.81 KDM1A (0.34) KDM1AMAOBKMT2AL3MBTL1NPC1
SCHEMBL2940110 0.81 BTK (0.46) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL2940111 0.81 BTK (0.46) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL2941844 0.81 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-20060252837-A1 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 PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL KDM1A 3872/4885MAOB 493/4885KMT2A 2546/4885
US-20060252837-A1 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 F2, C1S, C9 KDM1A 3525/4885MAOB 2043/4885KMT2A 3495/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KDM1A 3728/4885MAOB 2189/4885KMT2A 3693/4885

“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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