SCHEMBL6718644

SCHEMBL6718644

O=S(=O)(Nc1ccc(C2=NCCc3cc(F)ccc32)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
GFER P55789 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA7 P43166 5/20 0.47
CA9 Q16790 5/20 0.47
CA14 Q9ULX7 5/20 0.47
KIT P10721 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 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
SCHEMBL6718307 0.92 LMNA (0.45) LMNAGFERSMN1; SMN2CA1CA2
SCHEMBL6718416 0.89 TRIM24 (0.45) LMNAGFERSMN1; SMN2CA1CA2
SCHEMBL6716531 0.88 LMNA (0.46) LMNAGFERSMN1; SMN2CA1CA2
SCHEMBL6724761 0.88 LMNA (0.44) LMNAGFERSMN1; SMN2CA1CA2
SCHEMBL6718222 0.87 CA1 (0.47) LMNASMN1; SMN2CA1CA2CA7
SCHEMBL6714859 0.87 ATM (0.47) LMNASMN1; SMN2CA1CA2CA7
SCHEMBL6724781 0.85 LMNA (0.45) LMNAGFERSMN1; SMN2CA1CA2
SCHEMBL7213740 0.85 UCHL1 (0.53) LMNACA1CA2CA7CA9
SCHEMBL6724633 0.85 ALDH1A1 (0.47) LMNASMN1; SMN2CA1CA2CA7
SCHEMBL6714954 0.83 THRB (0.50) LMNAMAPTPRF1THRB

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 LMNA 1790/4885GFER 4544/4885SMN1; SMN2 3685/4885

“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.