SCHEMBL2312019

SCHEMBL2312019

COC(=O)c1ccc2cc(Oc3ccc(F)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
PTPN11 Q06124 1/20 0.50
HGFAC Q04756 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LCK P06239 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PARP1 P09874 1/20 0.47
FPR2 P25090 1/20 0.46
SCN9A Q15858 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL21288599 0.87 KMT2A (0.64) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL28858596 0.85 PTPN11 (0.57) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL27149873 0.84 L3MBTL1 (0.55) NPC1RAB9AMEN1KMT2APARP1
SCHEMBL2311164 0.82 KDM4E (0.59) KDM4ESCN9AABL1
SCHEMBL184785 0.82 KDM4E (0.58) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL29365729 0.81 PTPN11 (0.68) KDM4EMAPTMEN1HTTKMT2A
SCHEMBL69025 0.81 PTPN11 (0.68) KDM4EMAPTMEN1HTTKMT2A
SCHEMBL22192208 0.81 PTPN11 (0.65) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL1856468 0.80 KDM4E (0.70) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL8732524 0.79 PTPN11 (0.66) KDM4EMAPTMEN1HTTKMT2A

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-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
EP-1846366-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-10-24 EP disclosed
WO-2006080477-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2006-08-03 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 (1 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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 KDM4E 4063/4885MAPT 3288/4885NPC1 293/4885

“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.