SCHEMBL6718889

SCHEMBL6718889

O=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1sccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
MAOA P21397 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
GGPS1 O95749 1/20 0.33

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
SCHEMBL6718767 0.89 MAPT (0.36) NPSR1KMT2AMEN1MAPTLMNA
SCHEMBL7174912 0.86 THRB (0.40) KMT2AMEN1MAPTLMNACA1
SCHEMBL6715048 0.86 PGR (0.41) PGR
SCHEMBL6718029 0.84 CA1 (0.41) LMNACA1CA2CA7CA9
SCHEMBL6714937 0.83 PGR (0.38) NPSR1KMT2AMEN1MAPTLMNA
SCHEMBL6718603 0.81 LMNA (0.36) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6718272 0.81 MAPK10 (0.38) KMT2AMEN1MAPTLMNACA1
SCHEMBL6718884 0.80 MAPT (0.38) NPSR1KMT2AMEN1MAPTLMNA
SCHEMBL6724728 0.77 MAPK10 (0.42) CA1CA2CA7CA9CA14
SCHEMBL6720569 0.75 ALDH1A1 (0.49) NPSR1KMT2AMEN1MAPTLMNA

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 2 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

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 3797/4885KMT2A 2851/4885MEN1 4445/4885

“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.