SCHEMBL2129169

SCHEMBL2129169

Cc1cc(Cl)nc(C(C)C)c1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
MEN1 O00255 4/20 0.75
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.47
THRB P10828 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CHRM4 P08173 1/20 0.45
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 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
SCHEMBL2128569 0.86 KMT2A (1.00) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2131202 0.80 MEN1 (0.52) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2132122 0.77 MEN1 (0.48) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2128166 0.76 KMT2A (0.81) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL2129056 0.74 MEN1 (0.45) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2128937 0.72 MEN1 (0.49) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2130011 0.71 RXFP1 (0.44) KMT2AMEN1SMN1; SMN2RAB9ALMNA
SCHEMBL28826852 0.71 CYP3A4 (0.44) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL2131055 0.70 KMT2A (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2130294 0.69 KMT2A (0.70) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR

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 KMT2A 403/4885MEN1 3018/4885SMN1; SMN2 808/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KMT2A 403/4885MEN1 3018/4885SMN1; SMN2 808/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KMT2A 403/4885MEN1 3018/4885SMN1; 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.