SCHEMBL2129585

SCHEMBL2129585

COCc1cc(Cl)nc(Cl)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PRKCE Q02156 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KMO O15229 1/20 0.34

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
SCHEMBL28057862 0.86 KDM4E (0.39) ALDH1A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL2129570 0.86 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL4990771 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL2129323 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL2130302 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL31322990 0.75 TUBB4A (0.36) ALDH1A1TDP1PRKCEMEN1KMT2A
SCHEMBL27910335 0.75 KDM5A (0.40) ALDH1A1MAPK1SMN1; SMN2POLBTDP1
SCHEMBL27910334 0.75 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL29384281 0.75 ALDH1A1 (0.74) ALDH1A1MAPK1SMN1; SMN2POLBL3MBTL1
SCHEMBL473877 0.75 ALDH1A1 (0.74) ALDH1A1MAPK1SMN1; SMN2POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318556-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2018-05-09 EP disclosed
EP-2630123-B1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
CN-103209962-B As the 6-amino-nicotinamide of the replacement of KCNQ2/3 conditioning agent GRUNENTHAL GMBH (DE) 2016-03-02 CN 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
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 EP disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US disclosed
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 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 (3 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 ALDH1A1 2214/4885MAPK1 1908/4885SMN1; SMN2 808/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 ALDH1A1 2214/4885MAPK1 1908/4885SMN1; SMN2 808/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 ALDH1A1 2214/4885MAPK1 1908/4885SMN1; SMN2 808/4885

“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.