SCHEMBL21012

SCHEMBL21012

Cc1c(C(=O)NCc2cccc(F)c2)c(C(C)C)nc2cc(Br)ccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.44
MAOB P27338 1/20 0.41
ANPEP P15144 1/20 0.41
ROCK2 O75116 3/20 0.40
CHRM4 P08173 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
LMNA P02545 1/20 0.40
PTGFR P43088 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
SENP1 Q9P0U3 1/20 0.39

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
SCHEMBL30794994 1.00 S1PR3 (0.44) S1PR3MAOBANPEPROCK2CHRM4
SCHEMBL22402 0.89 SMN1; SMN2 (0.46) S1PR3ADORA2ALMNAPTGFRADORA1
SCHEMBL30795590 0.89 SMN1; SMN2 (0.46) S1PR3ADORA2ALMNAPTGFRADORA1
SCHEMBL23629 0.87 S1PR3 (0.44) S1PR3MAOBROCK2
SCHEMBL30824680 0.86 S1PR3 (0.42) S1PR3MAOBROCK2CHRM4ADORA2A
SCHEMBL22271 0.86 S1PR3 (0.42) S1PR3MAOBROCK2CHRM4ADORA2A
SCHEMBL30796146 0.85 LMNA (0.52) S1PR3MAOBROCK2CHRM4ADORA2A
SCHEMBL21478 0.85 LMNA (0.52) S1PR3MAOBROCK2CHRM4ADORA2A
SCHEMBL22337 0.85 KCNQ3 (0.46) MAOBROCK2CHRM4ADORA2AADORA2B
SCHEMBL30795312 0.85 KCNQ3 (0.46) MAOBROCK2CHRM4ADORA2AADORA2B

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-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US claimed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED 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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 S1PR3 1453/4885MAOB 2304/4885ANPEP 4201/4885

“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.