SCHEMBL12983202

SCHEMBL12983202

COCCCN(C)c1nccc(C)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ PPARD Q03181 9/20 0.35
▸ PPARA Q07869 9/20 0.35
▸ GAA P10253 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL12983459 0.92 PIK3CD (0.39) MAPK1AGTR1AGTR2HDAC3HDAC1
SCHEMBL12983182 0.78 AGTR1 (0.47) AGTR1AGTR2HDAC1HDAC6ALDH1A1
SCHEMBL12983805 0.72 AGTR1 (0.48) AGTR1AGTR2HDAC3HDAC1HDAC6
SCHEMBL1505151 0.72 GRM4 (0.40) MAPK1PPARDPPARA
SCHEMBL12983447 0.71 AGTR1 (0.42) AGTR1AGTR2PPARAALDH1A1
SCHEMBL12983200 0.67 MAPK8 (0.35) AGTR1AGTR2ACACBALDH1A1SMN1; SMN2
SCHEMBL19751946 0.66 DYRK1A (0.37) DYRK1AGAAALDH1A1
SCHEMBL12794738 0.66 POLB (0.43) MAPK1ALDH1A1
SCHEMBL15966077 0.65 GRM4 (0.43) PIK3CDALDH1A1
SCHEMBL17611245 0.65 NAPRT (0.46) MAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 — — US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 — — US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 — — US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 — — US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 — — 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 (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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 MAPK1 1908/4885AGTR1 2368/4885AGTR2 1918/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 MAPK1 1908/4885AGTR1 2368/4885AGTR2 1918/4885

“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.

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