SCHEMBL6716754

SCHEMBL6716754

Cc1c(S(=O)(=O)Nc2ccc(C3=NCCc4ccc(Cl)cc43)cc2)sc2ccc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CMA1 P23946 3/20 0.56
PFKFB3 Q16875 5/20 0.52
PFKFB4 Q16877 4/20 0.51
HTR6 P50406 10/20 0.51
HTR1A P08908 5/20 0.50
HTR1D P28221 5/20 0.50
HTR1B P28222 5/20 0.50
HTR2A P28223 3/20 0.50
HTR7 P34969 3/20 0.50
HTR2C P28335 3/20 0.50
DRD2 P14416 2/20 0.50
ADRA1B P35368 2/20 0.50
DRD3 P35462 2/20 0.50
HTR4 Q13639 2/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
HTR2B P41595 1/20 0.50
DRD1 P21728 1/20 0.47

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
SCHEMBL6724805 0.95 NPSR1 (0.56) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6725600 0.94 NPSR1 (0.59) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6720525 0.92 PFKFB3 (0.59) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6720472 0.89 NPSR1 (0.56) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6720605 0.87 NPSR1 (0.54) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6714975 0.86 PFKFB4 (0.55) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6720554 0.85 PFKFB3 (0.58) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL6716565 0.84 PFKFB3 (0.59) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL12204617 0.80 NPSR1 (0.90) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL733290 0.79 NPSR1 (0.65) NPSR1L3MBTL1CMA1PFKFB3PFKFB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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 (1 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A NPSR1 3797/4885L3MBTL1 4650/4885CMA1 2240/4885

“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.