SCHEMBL1476280

SCHEMBL1476280

O=C(Cc1ccccc1F)C1CCN(Cc2nc(F)c[nH]c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
HTR2A P28223 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1G O43497 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL1477694 0.90 KMT2A (0.43) SIGMAR1ALDH1A1KDM4EKMT2AGRIN1
SCHEMBL1475069 0.84 SIGMAR1 (0.43) SIGMAR1ALDH1A1KDM4EKMT2AGRIN1
SCHEMBL1476007 0.82 KDM4E (0.47) SIGMAR1ALDH1A1KDM4EKMT2AGRIN1
SCHEMBL1475227 0.80 SIGMAR1 (0.43) SIGMAR1ALDH1A1KDM4EKMT2AGRIN1
SCHEMBL1477427 0.78 SIGMAR1 (0.44) SIGMAR1ALDH1A1KDM4EKMT2AHTR2A
SCHEMBL1476151 0.78 SIGMAR1 (0.42) SIGMAR1ALDH1A1KDM4EKMT2AGRIN1
SCHEMBL1476105 0.78 SIGMAR1 (0.46) SIGMAR1ALDH1A1KDM4EKMT2AHTR2A
SCHEMBL1476076 0.77 SIGMAR1 (0.41) SIGMAR1ALDH1A1KDM4EKMT2ACACNA1G
SCHEMBL1473936 0.77 SIGMAR1 (0.70) SIGMAR1ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL5216493 0.76 CACNA1G (0.41) SIGMAR1ALDH1A1KDM4EHTR2ACACNA1G

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 14 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-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 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
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 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
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

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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SIGMAR1 193/4885ALDH1A1 363/4885KDM4E 2621/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SIGMAR1 193/4885ALDH1A1 363/4885KDM4E 2621/4885

“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.