SCHEMBL756920

SCHEMBL756920

CS(=O)(=O)O.Nc1ccccc1C(=O)c1ccc(F)cc1

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
GAA P10253 2/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
BDKRB1 P46663 1/20 0.47
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
KMT2A Q03164 3/20 0.45
HSD11B1 P28845 1/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CFTR P13569 1/20 0.45
STS P08842 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 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
SCHEMBL333734 0.90 MAPT (0.71) MAPTGAACA1CA2CA9
SCHEMBL29558763 0.90 MAPT (0.71) MAPTGAACA1CA2CA9
SCHEMBL8374908 0.81 MAPT (0.87) MAPTGAACA1CA2CA9
SCHEMBL6342603 0.81 CA1 (0.68) MAPTGAACA1CA2CA9
SCHEMBL11844632 0.78 MAPT (0.49) MAPTGAACA1CA2CA9
SCHEMBL1754308 0.77 AKR1C3 (0.58) MAPTCA1CA2KMT2AHSD17B10
SCHEMBL20491087 0.77 KMT2A (0.77) MAPTBDKRB1KMT2AHSD17B10ALDH1A1
SCHEMBL7743794 0.77 MAPT (0.52) MAPTGAACA1CA2CA9
SCHEMBL10948187 0.76 KEAP1 (0.63) MAPTGAAMAPK14NPC1HTT
SCHEMBL4639277 0.76 MAPT (0.71) MAPTGAACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361215-B1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-03-21 EP disclosed
EP-1375487-B1 PROCESS FOR PRODUCING QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-6909003-B2 Process for the manufacture of organic compounds NOVARTIS AG (CH) 2005-06-21 US disclosed
US-6852862-B2 Process for producing quinoline-3-carboxylic acid compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 2005-02-08 US disclosed
US-6841681-B2 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-11 US disclosed
US-20040077866-A1 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 US disclosed
US-20040073034-A1 Process for producing quinoline-3-carboxylic acid compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-15 US disclosed
EP-1375487-A1 PROCESS FOR PRODUCING QUINOLINE-3-CARBOXYLIC ACID COMPOUND SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-01-02 EP disclosed
US-20030233001-A1 Process for the manufacture of organic compounds NOVARTIS AG (CH) 2003-12-18 US disclosed
EP-1361215-A1 PROCESS FOR PRODUCING QUINOLINE CARBOXYALDEHYDE DERIVATIVE AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2003-11-12 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 (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-20040077866-A1 Process for producing quinoline carboxyaldehyde derivative and intermediate thereof CPNE4, CYP3A4, CYP4B1 MAPT 2706/4885GAA 447/4885CA1 1949/4885
US-20030233001-A1 Process for the manufacture of organic compounds CYP11B2, CYP11B1, HSD17B12 MAPT 3765/4885GAA 1417/4885CA1 599/4885
US-20040073034-A1 Process for producing quinoline-3-carboxylic acid compound ADH1C, ADH5, CBR3 MAPT 3998/4885GAA 2950/4885CA1 855/4885

“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.