SCHEMBL3815260

SCHEMBL3815260

O=C(O)c1c[nH]c2cc(Nc3ccccc3)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 2/20 0.56
MEN1 O00255 1/20 0.56
ALOX12 P18054 1/20 0.56
KMT2A Q03164 1/20 0.56
MDH2 P40926 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CFTR P13569 3/20 0.53
KDM4E B2RXH2 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ERCC1 P07992 1/20 0.48
DNASE1 P24855 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48

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
SCHEMBL16112737 0.81 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL10835850 0.78 ALDH1A1 (0.59) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL377150 0.77 CFTR (0.67) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL29551347 0.77 CFTR (0.67) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL18589525 0.76 CYP1A2 (0.64) ALDH1A1HPGDCYP1A2MEN1ALOX12
Hydrochloric Acid SCHEMBL9046989 0.76 CFTR (0.65) ALDH1A1HPGDCYP1A2MEN1ALOX12
Hydrochloric Acid SCHEMBL29766716 0.76 CFTR (0.65) ALDH1A1HPGDCYP1A2MEN1ALOX12
Hydrochloric Acid SCHEMBL30585295 0.76 CFTR (0.65) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL4537810 0.75 CYP1A2 (0.62) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL4452877 0.75 KDM4E (0.77) ALDH1A1HPGDCYP1A2MEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336703-B2 Process for the synthesis of ivacaftor and related compounds COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-07-02 US disclosed
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-05-10 US disclosed
WO-2016181414-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 WO disclosed
EP-1713803-B1 7-PHENYLAMINO-4-QUINOLONE-3-CARBOXYLIC ACID DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-08-05 EP disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
CN-1914206-A 7-phenylamino-4-quinolone-3-carboxylic acid derivatives, methods for production and use thereof as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2007-02-14 CN disclosed
CN-1914206-A 7-phenylamino-4-quinolone-3-carboxylic acid derivatives, methods for production and use thereof as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2007-02-14 CN disclosed
EP-1713803-A1 7-PHENYLAMINO-4-QUINOLONE-3-CARBOXYLIC ACID DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2006-10-25 EP disclosed
US-20050182085-A1 7-phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-18 US disclosed
US-20050182085-A1 7-phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-18 US disclosed
US-20050182085-A1 7-phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-18 US disclosed
WO-2005073229-A1 7-PHENYLAMINO-4-QUINOLONE-3-CARBOXYLIC ACID DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-08-11 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 (3 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-10336703-B2 Process for the synthesis of ivacaftor and related compounds AVPR1A, ACVR1, AVPR2 ALDH1A1 69/4885HPGD 2796/4885CYP1A2 393/4885
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS AVPR1A, ACVR1, AVPR2 ALDH1A1 69/4885HPGD 2796/4885CYP1A2 393/4885
US-20050182085-A1 7-phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SLC5A2, CYP2A7, GLS ALDH1A1 395/4885HPGD 254/4885CYP1A2 22/4885

“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.