SCHEMBL4082035

SCHEMBL4082035

COc1cccnc1[CH]O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.51
PLAU P00749 1/20 0.47
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TP53 P04637 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.38

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
SCHEMBL5641184 0.82 NFE2L2 (0.53) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL8554208 0.80 NFE2L2 (0.51) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL2084338 0.80 NFE2L2 (0.55) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL4378934 0.80 NFE2L2 (0.51) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL29416506 0.79 NFE2L2 (0.48) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL9000315 0.78 NFE2L2 (0.58) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL27220459 0.78 NFE2L2 (0.50) NFE2L2PLAUNPC1RAB9AGAA
Formic Acid SCHEMBL27958614 0.76 PLAU (0.44) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL14721797 0.75 NFE2L2 (0.55) NFE2L2NPC1GAAKDM4EMAPK1
SCHEMBL14721799 0.75 NFE2L2 (0.55) NFE2L2NPC1GAAKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US claimed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US claimed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US claimed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 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 (3 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-20020019531-A1 Indoles INMT, MUSK, MB NFE2L2 4496/4885PLAU 3483/4885PDGFRB 1988/4885
US-20080027039-A1 Method for treating a motor neuron disease SMN1; SMN2, NLN, SLC18A2 NFE2L2 3317/4885PLAU 1379/4885PDGFRB 1938/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 NFE2L2 3485/4885PLAU 4101/4885PDGFRB 2685/4885

“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.