SCHEMBL30025

SCHEMBL30025

O=C(Cl)c1cc2ccccc2nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 2/20 0.51
IKBKB O14920 1/20 0.50
KMT2A Q03164 2/20 0.49
RAB9A P51151 3/20 0.47
GLA P06280 2/20 0.45
HPGD P15428 1/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 2/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
EGFR P00533 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL529351 0.85 HTT (0.54) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL31105819 0.85 HTT (0.54) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL29754608 0.84 IKBKB (0.67) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL3144090 0.84 KDM4E (0.55) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL31301 0.84 IKBKB (0.67) HTTSMN1; SMN2ALDH1A1KDM4EATM
Hydrochloric Acid SCHEMBL30026 0.84 HTT (0.52) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL9622109 0.81 IKBKB (0.50) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL3705378 0.81 CNR2 (0.51) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL5139948 0.81 HTT (0.60) HTTSMN1; SMN2ALDH1A1KDM4EATM
SCHEMBL20098513 0.80 KDM4E (0.57) HTTSMN1; SMN2ALDH1A1KDM4EATM

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189863-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives PULMOCIDE LIMITED (GB) 2019-01-29 US disclosed
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 US disclosed
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 US disclosed
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
EP-2951168-B1 QUINOLINE AND QUINOXALINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-01-04 EP disclosed
WO-2016055792-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2016-04-14 WO disclosed
EP-2951168-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Inc. (US) 2015-12-09 EP disclosed
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-9139529-B2 Substituted quinoxalines as sodium channel modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
WO-2014120815-A9 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-25 WO disclosed
US-20140228371-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-14 US disclosed
US-20140228371-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-14 US disclosed
WO-2014120815-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 WO disclosed
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 (5 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 HTT 1457/4885SMN1; SMN2 1809/4885ALDH1A1 3096/4885
US-10189863-B2 5,6-dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives AZI2, HRH4, ZC3HAV1 HTT 1486/4885SMN1; SMN2 347/4885ALDH1A1 1873/4885
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A HTT 1086/4885SMN1; SMN2 900/4885ALDH1A1 1485/4885
US-20140228371-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A HTT 1086/4885SMN1; SMN2 900/4885ALDH1A1 1485/4885
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES ZC3HAV1, DHX15, AZI2 HTT 2083/4885SMN1; SMN2 560/4885ALDH1A1 1756/4885

“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.