SCHEMBL439657

SCHEMBL439657

COc1ccc(CC(C)(N)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.44
CYP2A6 P11509 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DAO P14920 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CHRM4 P08173 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
SCHEMBL12599375 0.84 KDM1A (0.42) NNMTCYP2A6DAOKDM1AMAOA
SCHEMBL18387804 0.79 KDM1A (0.40) NNMTCYP2A6DAOKDM1AMAOA
SCHEMBL18387803 0.75 KDM1A (0.37) NNMTCYP2A6DAOKDM1AMAOA
SCHEMBL441300 0.75 LOXL2 (0.60) CHRM1
SCHEMBL1146238 0.74 LOXL2 (0.53) NNMTCYP2A6MKNK1MKNK2DAO
SCHEMBL29658888 0.74 LOXL2 (0.53) NNMTCYP2A6MKNK1MKNK2DAO
SCHEMBL29491632 0.74 NNMT (0.47) NNMTCYP2A6MKNK1MKNK2DAO
SCHEMBL5547238 0.74 LOXL2 (0.53) NNMTCYP2A6MKNK1MKNK2DAO
SCHEMBL247713 0.74 NNMT (0.47) NNMTCYP2A6MKNK1MKNK2DAO
Ammonia Solution, Strong SCHEMBL6061986 0.73 LOXL2 (0.52) NNMTCYP2A6MKNK1MKNK2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
CN-101646654-B Indazolyl sulfonamide derivatives useful as glucocorticoid modulators ASTRAZENECA AB 2012-03-28 CN disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 WO 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R NNMT 3480/4885CYP2A6 178/4885MKNK1 2011/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R NNMT 3489/4885CYP2A6 183/4885MKNK1 1971/4885

“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.