SCHEMBL2718554

SCHEMBL2718554

Nc1cc(C(=O)O)c(Cl)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.56
GABRD O14764 5/20 0.56
GABRA1 P14867 5/20 0.56
GABRB1 P18505 5/20 0.56
GABRG2 P18507 5/20 0.56
GABRB3 P28472 5/20 0.56
GABRA5 P31644 5/20 0.56
GABRA3 P34903 5/20 0.56
GABRA2 P47869 5/20 0.56
GABRB2 P47870 5/20 0.56
GABRA4 P48169 5/20 0.56
GABRE P78334 5/20 0.56
GABRA6 Q16445 5/20 0.56
GABRG1 Q8N1C3 5/20 0.56
GABRG3 Q99928 5/20 0.56
GABRQ Q9UN88 5/20 0.56
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
HAVCR2 Q8TDQ0 1/20 0.42
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL15059144 0.84 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29411268 0.79 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1300053 0.79 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2355355 0.78 GAA (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31472304 0.78 GAA (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19857495 0.78 ASPH (0.60) ALDH1A1TP53KDM4EMAPTSMN1; SMN2
SCHEMBL6297457 0.78 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5357531 0.78 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14023609 0.76 SORT1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2716579 0.76 KDM4E (0.63) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
CN-107406378-A Sulfurized alkyl compounds and pyridine trans sulfonamide compounds for HBV treatment 诺维拉治疗公司 2017-11-28 CN disclosed
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
CN-102317263-B Halogen substituted compounds as pesticides BAYER IP GMBH 2015-04-22 CN disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
CN-101305005-A Novel diazaspiroalkanes and their use for treatment of CCR8 mediated diseases ASTRAZENECA AB (SE) 2008-11-12 CN disclosed
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO disclosed
EP-0100899-B1 BENZISOSELENAZOLONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1988-06-15 EP disclosed
US-4550168-A Benzisoselenazolones and a process for the treatment of inflammatory diseases A. NATTERMANN & CIE GMBH (DE) 1985-10-29 US disclosed
EP-0100899-A2 Benzisoselenazolones, process for their preparation and pharmaceutical compositions containing them A. Nattermann & Cie. GmbH (DE) 1984-02-22 EP 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A GABRP 342/4885GABRD 285/4885GABRA1 197/4885
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 GABRP 1172/4885GABRD 1270/4885GABRA1 747/4885

“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.