SCHEMBL1476007

SCHEMBL1476007

O=C(Cc1ccccc1F)C1CCN(Cc2nc3ccccc3[nH]c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
DRD4 P21917 2/20 0.43
SIGMAR1 Q99720 4/20 0.42
SLC40A1 Q9NP59 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1475460 0.88 MAPT (0.47) KDM4EALDH1A1GRIN1GRIN2BMEN1
SCHEMBL1476280 0.82 SIGMAR1 (0.43) KDM4EALDH1A1GRIN1GRIN2BKMT2A
SCHEMBL1475227 0.82 SIGMAR1 (0.43) KDM4EALDH1A1GRIN1GRIN2BKMT2A
SCHEMBL1476151 0.80 SIGMAR1 (0.42) KDM4EALDH1A1GRIN1GRIN2BMEN1
SCHEMBL1477694 0.80 KMT2A (0.43) KDM4EALDH1A1GRIN1GRIN2BMEN1
SCHEMBL1475069 0.80 SIGMAR1 (0.43) KDM4EALDH1A1GRIN1GRIN2BKMT2A
SCHEMBL1475891 0.77 SIGMAR1 (0.41) KDM4EALDH1A1GRIN1GRIN2BKMT2A
SCHEMBL1476105 0.76 SIGMAR1 (0.46) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL1476051 0.76 GRIN1 (0.46) KDM4EALDH1A1GRIN1GRIN2BTDP1
SCHEMBL1476191 0.75 DCPS (0.48) KDM4EALDH1A1GRIN1GRIN2BTDP1

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 13 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
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 KDM4E 2621/4885ALDH1A1 363/4885GRIN1 682/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 KDM4E 2621/4885ALDH1A1 363/4885GRIN1 682/4885

“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.