SCHEMBL15328670

SCHEMBL15328670

CCOC(=O)c1c(C)cc(N2CCOCC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM1A O60341 1/20 0.45
DGAT1 O75907 6/20 0.44
SOAT1 P35610 6/20 0.44
ABCB1 P08183 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL15328399 0.85 CYP3A4 (0.58) PIK3CALMNANPSR1DGAT1SOAT1
SCHEMBL2771885 0.83 MAPT (0.47) ALDH1A1LMNAABCB1KDM4EMEN1
SCHEMBL15328746 0.82 KMT2A (0.43) PIK3CAALDH1A1LMNADGAT1SOAT1
SCHEMBL15328269 0.81 PIK3CA (0.46) PIK3CAALDH1A1LMNADGAT1SOAT1
SCHEMBL15328706 0.81 HSD17B10 (0.48) PIK3CAALDH1A1LMNANPSR1DGAT1
SCHEMBL15328086 0.81 DGAT1 (0.46) PIK3CAALDH1A1LMNADGAT1SOAT1
SCHEMBL20098275 0.79 KDM4E (0.50) PIK3CAALDH1A1LMNADGAT1SOAT1
SCHEMBL4259602 0.76 MAPT (0.48) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4755040 0.76 PIK3CA (0.56) PIK3CAALDH1A1LMNAKDM4EMEN1
SCHEMBL5720404 0.75 HIF1A (0.54) ALDH1A1LMNAABCB1KDM4EMEN1

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
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 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 (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 PIK3CA 1345/4885ALDH1A1 3041/4885LMNA 1359/4885

“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.