SCHEMBL2824489

SCHEMBL2824489

C[n+]1c(Cl)ccc2ccccc21.F[B-](F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.44
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
BCHE P06276 3/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL34461983 1.00 ACHE (0.44) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL4592722 0.92 ACHE (0.49) ACHEPOLBKMT2ABCHEMEN1
Hydrochloric Acid SCHEMBL9205826 0.90 ACHE (0.47) ACHEPOLBKMT2ABCHEMEN1
Iodide SCHEMBL18497004 0.90 ACHE (0.51) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL6744860 0.85 ACHE (0.42) ACHEPOLBKMT2ABCHEMEN1
Trifluoromethanesulfonic Acid SCHEMBL4497025 0.79 KCNH2 (0.41) ACHE
Trifluoromethanesulfonic Acid SCHEMBL31472680 0.79 KCNH2 (0.41) ACHE
SCHEMBL6331349 0.78 ACHE (0.44) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL6337322 0.78 CYP2A6 (0.36) ACHEKMT2AMEN1LMNAMAPT
SCHEMBL4625061 0.77 MEN1 (0.40) ACHEPOLBKMT2ABCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US claimed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US claimed
EP-1346719-A1 Dyeing compositions containing quinolinium salts Wella Aktiengesellschaft (DE) 2003-09-24 EP claimed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
US-12599577-B2 Thermoresponsive gel eye drop for ocular delivery of cysteamine University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2026-04-14 US disclosed
US-20210369649-A1 THERMORESPONSIVE GEL EYE DROP FOR OCULAR DELIVERY OF CYSTEAMINE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-12-02 US disclosed
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD (DE) 2012-09-13 US disclosed
US-20110319438-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD (DE) 2011-12-29 US disclosed
US-20100144762-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD 2010-06-10 US disclosed
US-7723538-B2 enzyme inhibitors of membrane-bound carnitine-dependent palmitoyltransferases (CPTs); inhibit gluconeogenesis and therefore counteract hyperglycemia; 4-(3-Benzenesulfonylamino-benzoylamino)-benzoic acid HOFFMANN-LA ROCHE INC. (US) 2010-05-25 US disclosed
EP-1891001-B1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-20060276494-A1 Novel sulfonamides as L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP disclosed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US disclosed
EP-1346719-A1 Dyeing compositions containing quinolinium salts Wella Aktiengesellschaft (DE) 2003-09-24 EP disclosed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 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 (7 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-20060276494-A1 Novel sulfonamides as L-CPT1 inhibitors CPT1A, CPT1B, CPT2 ACHE 2730/4885POLB 2805/4885KMT2A 1890/4885
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 ACHE 2730/4885POLB 2805/4885KMT2A 1890/4885
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 ACHE 4265/4885POLB 1150/4885KMT2A 1669/4885
US-12599577-B2 Thermoresponsive gel eye drop for ocular delivery of cysteamine CRYAA, PKD2, SLC7A11 ACHE 2935/4885POLB 4384/4885KMT2A 4046/4885
US-20100144762-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 ACHE 2730/4885POLB 2805/4885KMT2A 1890/4885
US-20110319438-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 ACHE 2730/4885POLB 2805/4885KMT2A 1890/4885
US-20210369649-A1 THERMORESPONSIVE GEL EYE DROP FOR OCULAR DELIVERY OF CYSTEAMINE CRYAB, CRYAA, CTH ACHE 2703/4885POLB 3993/4885KMT2A 3971/4885

“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.