SCHEMBL1353595

SCHEMBL1353595

[CH2]c1cccc(NC(=O)CN(C)CCO)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ PRMT8 Q9NR22 1/20 0.42
▸ HTT P42858 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
SCHEMBL28141147 0.84 HPGD (0.55) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL1356705 0.84 MAP4K4 (0.48) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL18038102 0.80 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL28308952 0.76 CYP3A4 (0.59) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL7214863 0.75 POLB (0.43) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL28141066 0.75 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL28309753 0.74 MEN1 (0.59) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL28141074 0.74 ALDH1A1 (0.57) KMT2AALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL13489789 0.73 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL7362634 0.73 CA1 (0.60) KMT2AMEN1ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 — — US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 — — US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 — — EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 — — US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 — — US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 — — EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 KMT2A 1137/4885MEN1 1002/4885ALDH1A1 4063/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 KMT2A 1137/4885MEN1 1002/4885ALDH1A1 4063/4885

“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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