SCHEMBL2187271

SCHEMBL2187271

OCn1ccc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
AR P10275 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.35
CCR1 P32246 1/20 0.35
XBP1 P17861 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL2188705 0.84 LMNA (0.32) LMNAMAPTPOLB
SCHEMBL18222537 0.84 LMNA (0.40) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL16422442 0.84 LMNA (0.35) LMNAMAPTPOLBKMT2AKDM4E
SCHEMBL34473052 0.82 LMNA (0.45) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL5518528 0.81 LMNA (0.31) LMNAMAPT
SCHEMBL5518520 0.80 LMNA (0.33) LMNAMAPTPOLBAR
SCHEMBL2187783 0.79 SLC6A2 (0.34) LMNAKDM4E
SCHEMBL2187170 0.79 LMNA (0.39) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL22111912 0.79 LMNA (0.39) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL950089 0.79 LMNA (0.45) LMNAMAPTPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP disclosed
CN-104203928-B Triazineon compounds and T-shaped calcium channel blocker 日产化学工业株式会社 2017-06-06 CN disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 CN disclosed
CN-101538243-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2012-05-09 CN disclosed
CN-101544606-B Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-1710234-B1 MALONONITRILE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
CN-1910147-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2011-04-20 CN disclosed
CN-101544606-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-30 CN disclosed
CN-101538243-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-23 CN disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
CN-1910147-A Malononitrile compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-02-07 CN disclosed
EP-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 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 (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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G LMNA 1722/4885MAPT 627/4885POLB 4497/4885
US-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 LMNA 3587/4885MAPT 2498/4885POLB 3857/4885

“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.