SCHEMBL4366889

SCHEMBL4366889

NC1CN(C(=O)O)CCC1NC(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.56
SMYD3 Q9H7B4 2/20 0.52
PYGL P06737 3/20 0.49
CYP51A1 Q16850 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.46
PDPK1 O15530 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
GHSR Q92847 1/20 0.45
PYGM P11217 2/20 0.45

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
SCHEMBL4366892 1.00 MLLT1 (0.56) MLLT1SMYD3PYGLCYP51A1KMT2A
SCHEMBL4367895 0.88 SMYD3 (0.59) SMYD3PYGLCYP51A1HRH4
SCHEMBL4367892 0.88 SMYD3 (0.59) SMYD3PYGLCYP51A1HRH4
SCHEMBL2941401 0.86 F10 (0.52) MLLT1SMYD3PYGLCYP51A1KMT2A
SCHEMBL3341346 0.86 F10 (0.52) MLLT1SMYD3PYGLCYP51A1KMT2A
SCHEMBL3341344 0.86 F10 (0.52) MLLT1SMYD3PYGLCYP51A1KMT2A
SCHEMBL1503768 0.78 SMYD3 (0.59) SMYD3PYGLCYP51A1HRH4PYGM
SCHEMBL3305766 0.75 F10 (0.74)
SCHEMBL3305774 0.75 F10 (0.74)
SCHEMBL12035678 0.75 MLLT1 (0.58) MLLT1SMYD3PYGLKMT2AMEN1

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 11 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
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 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 (5 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 MLLT1 1088/4885SMYD3 2701/4885PYGL 1509/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MLLT1 755/4885SMYD3 3513/4885PYGL 3803/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R MLLT1 755/4885SMYD3 3513/4885PYGL 3803/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MLLT1 755/4885SMYD3 3513/4885PYGL 3803/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R MLLT1 650/4885SMYD3 3337/4885PYGL 3866/4885

“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.