SCHEMBL6714796

SCHEMBL6714796

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3=NCCc4ccc(F)cc43)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
ALPL P05186 4/20 0.52
HTT P42858 1/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.48
MAPK10 P53779 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 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
SCHEMBL7210287 0.93 CA1 (0.54) SMN1; SMN2ALPLHTTLMNAALDH1A1
SCHEMBL6716920 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALPLLMNAALDH1A1KMT2A
SCHEMBL6724989 0.90 TP53 (0.54) SMN1; SMN2ALPLHTTLMNAALDH1A1
SCHEMBL6718273 0.88 LMNA (0.57) SMN1; SMN2ALPLLMNAALDH1A1MEN1
SCHEMBL6725304 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ALPLLMNAALDH1A1KMT2A
SCHEMBL6718356 0.81 TP53 (0.53) SMN1; SMN2ALPLALDH1A1MAPK10NPSR1
SCHEMBL6717898 0.79 SGK1 (0.46) SMN1; SMN2LMNAMAPK10NPSR1BRD4
SCHEMBL6718250 0.79 ALPL (0.47) ALPLMAPK10
SCHEMBL7536903 0.78 LMNA (0.75) SMN1; SMN2ALPLHTTLMNAALDH1A1
SCHEMBL6716436 0.77 ALDH1A1 (0.48) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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 SMN1; SMN2 3685/4885ALPL 1126/4885HTT 3793/4885

“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.