SCHEMBL15328663

SCHEMBL15328663

C=C(C)c1cc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
NAMPT P43490 1/20 0.47
PSMD14 O00487 1/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.45
PPARG P37231 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
HDAC3 O15379 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42

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
SCHEMBL15328209 0.90 KMT2A (0.47) TP53LMNAKMT2APPARGKLKB1
SCHEMBL15328673 0.90 BRAF (0.45) TP53GAAALDH1A1NAMPTLMNA
SCHEMBL15328664 0.86 GAA (0.52) TP53GAAALDH1A1TSHRNAMPT
SCHEMBL15328232 0.83 PPARG (0.46) TP53NAMPTLMNAKMT2APPARG
SCHEMBL15328957 0.83 LMNA (0.51) TP53GAAALDH1A1TSHRNAMPT
SCHEMBL15328287 0.83 GAA (0.49) TP53GAAALDH1A1TSHRNAMPT
SCHEMBL15328484 0.82 GAA (0.48) TP53GAAALDH1A1TSHRNAMPT
SCHEMBL15328621 0.76 KMT2A (0.51) TP53LMNAKMT2APPARGKLKB1
SCHEMBL15328430 0.75 KMT2A (0.48) TP53LMNAKMT2APPARGKLKB1
SCHEMBL15328501 0.75 KMT2A (0.50) TP53LMNAKMT2APPARGKLKB1

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 TP53 4409/4885GAA 3329/4885ALDH1A1 3041/4885

“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.