SCHEMBL1000205

SCHEMBL1000205

Nc1c(Cl)cc(Br)cc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.33
PGK1 P00558 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
WDR5 P61964 1/20 0.32
GRIN2B Q13224 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
ACLY P53396 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
SLC1A5 Q15758 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL23958833 0.78 HRH4 (0.36) HRH4ALDH1A1CYP3A4SIGMAR1MAOA
SCHEMBL3720608 0.78 WDR5 (0.41) PGK1ALDH1A1CYP3A4WDR5ACLY
SCHEMBL23930187 0.78 HRH4 (0.33) HRH4CA1CA2CA9SIGMAR1
SCHEMBL4183063 0.75 CYP3A4 (0.33) PGK1ALDH1A1CYP3A4SLC1A5
SCHEMBL3716943 0.75 ALDH1A1 (0.34) PGK1ALDH1A1CYP3A4WDR5GRIN2B
SCHEMBL13515990 0.75 CYP1A2 (0.31) CYP3A4
SCHEMBL27801325 0.75 MAPT (0.48) ALDH1A1CYP3A4
SCHEMBL31506852 0.75 MAPT (0.48) ALDH1A1CYP3A4
SCHEMBL22749548 0.74 GAA (0.32) GRIN2BCA1CA2CA9
SCHEMBL26231908 0.74 WDR5 (0.35) PGK1WDR5ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
EP-2061465-B1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2013-04-10 EP disclosed
CN-102869250-A 4- (N-azacycloalkyl) anilide derivatives as potassium channel modulators VALEANT PHARMACEUTICALS INT 2013-01-09 CN disclosed
EP-2531024-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANIILIDES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2012-12-12 EP disclosed
US-8293911-B2 Seizure disorders; antiepileptic agents; N-(2-chloro-4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide for example VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2012-10-23 US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 US disclosed
WO-2011094186-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANIILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-08-04 WO disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 US disclosed
CN-101563085-A Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VERNIER JEAN MICHEL (US) 2009-10-21 CN disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
EP-2061465-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2009-05-27 EP disclosed
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-12 US disclosed
WO-2008024398-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-02-28 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 (4 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-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS KCNQ2, KCNQ1, KCNQ5 HRH4 2935/4885PGK1 3134/4885ALDH1A1 987/4885
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators KCNQ2, KCNQ1, KCNQ5 HRH4 2711/4885PGK1 2998/4885ALDH1A1 1126/4885
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH4 3/4885PGK1 2441/4885ALDH1A1 738/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 HRH4 3/4885PGK1 2441/4885ALDH1A1 738/4885

“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.