SCHEMBL10705331

SCHEMBL10705331

CCCCC[CH]NC(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 1/20 0.37
ASAH2 Q9NR71 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 3/20 0.35
SPHK1 Q9NYA1 3/20 0.35
GMNN O75496 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 2/20 0.35
POLB P06746 2/20 0.35
THRB P10828 2/20 0.35
CETP P11597 2/20 0.35
MAPK1 P28482 2/20 0.35
CXCR5 P32302 2/20 0.35

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
SCHEMBL14892315 0.93
SCHEMBL14892337 0.83
SCHEMBL5645202 0.81 ADH1B (0.39) MEN1KMT2AADH1BADH1CADH1A
SCHEMBL16892573 0.79 TSHR (0.42) MEN1KMT2AADH1BADH1CADH1A
SCHEMBL11775350 0.79 TSHR (0.42) MEN1KMT2AADH1BADH1CADH1A
SCHEMBL16390136 0.78 MEN1 (0.43) MEN1KMT2ACYP3A4ASAH2MAPT
SCHEMBL16389955 0.77 MEN1 (0.46) MEN1KMT2ACYP3A4ASAH2MAPT
SCHEMBL16390120 0.77 MEN1 (0.46) MEN1KMT2ACYP3A4ASAH2MAPT
SCHEMBL16390113 0.77 MEN1 (0.46) MEN1KMT2ACYP3A4ASAH2MAPT
SCHEMBL16390508 0.77 MEN1 (0.46) MEN1KMT2ACYP3A4ASAH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187450-B2 Substituted pyridine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 US disclosed
EP-2592076-B1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-05-13 EP disclosed
US-20140213549-A9 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2014-07-31 US disclosed
US-20140005143-A2 Substituted PyridineCompound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2592076-A1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-15 EP disclosed
US-20130109653-A1 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2013-05-02 US disclosed
EP-0293088-A1 Coating compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-30 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 (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-20140213549-A9 Substituted Pyridine Compound CETP, MTTP, PRCP MEN1 3088/4885KMT2A 1200/4885CYP3A4 285/4885
US-20140005143-A2 Substituted PyridineCompound CETP, MTTP, CES1 MEN1 3487/4885KMT2A 1462/4885CYP3A4 366/4885
US-20130109653-A1 Substituted Pyridine Compound CETP, MTTP, PRCP MEN1 3088/4885KMT2A 1200/4885CYP3A4 285/4885

“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.