SCHEMBL15328484

SCHEMBL15328484

Cc1cc(N2CCOCC2)cc(C2CC2)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 2/20 0.46
NAMPT P43490 1/20 0.45
KMT2A Q03164 2/20 0.45
PSMD14 O00487 1/20 0.45
LMNA P02545 3/20 0.44
PPARG P37231 1/20 0.42
THRB P10828 1/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL15328400 0.90 KMT2A (0.47) ALDH1A1TP53KMT2ALMNAPPARG
SCHEMBL15328121 0.90 BRAF (0.45) GAATP53NAMPTKMT2ALMNA
SCHEMBL15328442 0.87 KMT2A (0.47) ALDH1A1TP53KMT2ALMNAPPARG
SCHEMBL15328669 0.87 CYP2C9 (0.45) CYP2C9CYP3A4CYP2C19
SCHEMBL15328664 0.86 GAA (0.52) GAAALDH1A1TSHRTP53NAMPT
SCHEMBL15328957 0.83 LMNA (0.51) GAAALDH1A1TSHRTP53NAMPT
SCHEMBL15328287 0.83 GAA (0.49) GAAALDH1A1TSHRTP53NAMPT
SCHEMBL15328436 0.83 KMT2A (0.44) ALDH1A1TP53KMT2ALMNAPPARG
SCHEMBL15328663 0.82 TP53 (0.48) GAAALDH1A1TSHRTP53NAMPT
SCHEMBL2129915 0.81 TP53 (0.47) GAAALDH1A1TSHRTP53KMT2A

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 12 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 claimed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP claimed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO claimed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US claimed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
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
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US 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 GAA 3329/4885ALDH1A1 3041/4885TSHR 4249/4885

“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.