SCHEMBL15328593

SCHEMBL15328593

COc1cc(N2CCOCC2)cc(C(C)C)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.49
MAPT P10636 6/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
TGFBR1 P36897 3/20 0.42
ACVR1 Q04771 3/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.40
MAPK10 P53779 1/20 0.40
ABCB1 P08183 1/20 0.40
HCRTR1 O43613 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
FGFR1 P11362 1/20 0.39

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
SCHEMBL2771885 0.83 MAPT (0.47) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL15328674 0.83 MAPT (0.42) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL15328359 0.81 HIF1A (0.44) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL5720404 0.80 HIF1A (0.54) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL15328727 0.77 MEN1 (0.47) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL15328406 0.76 CFTR (0.45) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL12781702 0.74 HIF1A (0.53) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL4989973 0.74 HIF1A (0.65) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL2770127 0.72 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL2438535 0.72 KDM4E (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US 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 (1 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-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS KCNJ2, KCNQ2, KCNQ1 HIF1A 2134/4885MAPT 3816/4885KMT2A 196/4885

“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.