SCHEMBL29143

SCHEMBL29143

Cc1cc(C)c2cc(C(=O)NCCc3ccccc3)c(N3CCCC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 4/20 0.49
RXFP1 Q9HBX9 3/20 0.49
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
CASP1 P29466 2/20 0.46
USP2 O75604 1/20 0.46
CFTR P13569 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP7 P55210 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29493 0.79 SMN1; SMN2 (0.49) TSHRHSD17B10MAPTTP53ALDH1A1
SCHEMBL11305181 0.71 TSHR (0.50) TSHRHSD17B10MAPTTP53RAB9A
SCHEMBL11299039 0.69 TSHR (0.56) TSHRHSD17B10MAPTTP53RAB9A
SCHEMBL13162412 0.67 SMN1; SMN2 (0.82) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL11191067 0.66 HSD17B10 (0.57) TSHRHSD17B10MAPTRAB9AALDH1A1
SCHEMBL16139269 0.66 CFTR (0.64) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL11191291 0.66 HSD17B10 (0.57) TSHRHSD17B10MAPTRAB9AALDH1A1
SCHEMBL11303345 0.64 TSHR (0.57) TSHRHSD17B10MAPTRXFP1TP53
SCHEMBL11200220 0.64 POLB (0.54) TSHRHSD17B10MAPTTP53RAB9A
SCHEMBL11008739 0.64 HSD17B10 (0.83) TSHRHSD17B10MAPTTP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 WO claimed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 US claimed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
EP-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8470852-B2 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-06-25 US disclosed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 WO disclosed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 US disclosed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 TSHR 3874/4885HSD17B10 3800/4885MAPT 3067/4885

“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.