SCHEMBL1477059

SCHEMBL1477059

COc1ncc(Cl)cc1CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
SLC13A5 Q86YT5 2/20 0.35
SLC13A2 Q13183 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
BCHE P06276 1/20 0.35
LIPE Q05469 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
PLAU P00749 1/20 0.33
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL12467412 0.85 CYP2C9 (0.43) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL5783160 0.83 CYP2C9 (0.42) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL25117788 0.83 CYP2C9 (0.42) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL5780686 0.81 SLC13A5 (0.50) CYP2C9LMNAALDH1A1GFERSLC13A5
SCHEMBL5779592 0.79 CNR2 (0.36) LMNASMN1; SMN2ALDH1A1GFERSLC13A5
SCHEMBL22690068 0.79 CYP2C9 (0.42) CYP2C9ALDH1A1GFERSLC13A5SLC13A2
SCHEMBL21706076 0.76 ALOX5 (0.41) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL30364398 0.76 LMNA (0.43) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL28942777 0.76 LMNA (0.43) CYP2C9LMNATSHRAPEX1SMN1; SMN2
SCHEMBL7055864 0.75 SMN1; SMN2 (0.64) CYP2C9LMNATSHRAPEX1SMN1; SMN2

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
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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 (4 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CYP2C9 68/4885LMNA 913/4885TSHR 3021/4885
US-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 CYP2C9 1000/4885LMNA 2085/4885TSHR 2890/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 CYP2C9 154/4885LMNA 2984/4885TSHR 2573/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CYP2C9 68/4885LMNA 913/4885TSHR 3021/4885

“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.