SCHEMBL5872193

SCHEMBL5872193

Fc1cccc(C=Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.55
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
MEN1 O00255 3/20 0.54
USP2 O75604 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL5872191 1.00 NFE2L2 (0.55) NFE2L2IDO1TDO2MEN1USP2
SCHEMBL2604943 0.89 MEN1 (0.60) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL2461966 0.82 RAB9A (0.69) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL2461963 0.82 RAB9A (0.69) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL30869156 0.80 MEN1 (0.71) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL10489040 0.80 CYP2A6 (0.69) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL3264395 0.78 NQO2 (0.56) IDO1TDO2MEN1USP2RAB9A
SCHEMBL9849728 0.76 NFE2L2 (0.78) NFE2L2RAB9ANPC1
SCHEMBL9849732 0.76 NFE2L2 (0.78) NFE2L2RAB9ANPC1
SCHEMBL700536 0.74 NFE2L2 (1.00) NFE2L2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 (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-20020019531-A1 Indoles INMT, MUSK, MB NFE2L2 4496/4885IDO1 8/4885TDO2 190/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 NFE2L2 3485/4885IDO1 347/4885TDO2 592/4885

“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.