SCHEMBL6714765

SCHEMBL6714765

O=S(=O)(Cl)c1ccc(C2=NCCc3ccc(Cl)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA7 P43166 5/20 0.51
CA9 Q16790 5/20 0.51
CA14 Q9ULX7 5/20 0.51
MAPK10 P53779 8/20 0.42
MAPK9 P45984 2/20 0.41
MAPK14 Q16539 2/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK8 P45983 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
TSPO P30536 1/20 0.39

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
SCHEMBL27601351 0.86 MAPK10 (0.52) CA1CA2CA7CA9CA14
SCHEMBL6718309 0.81 MAPK10 (0.45) CA1CA2CA7CA9CA14
SCHEMBL6718578 0.81 MAPK10 (0.43) CA1CA2CA7CA9CA14
SCHEMBL6714923 0.81 PGR (0.48) CA1CA2CA7CA9CA14
SCHEMBL28340992 0.81 MAPK10 (0.58) MAPK10MAPK9MAPK14LMNAALDH1A1
SCHEMBL6724781 0.80 LMNA (0.45) CA1CA2CA7CA9CA14
SCHEMBL6716575 0.79 CCR9 (0.49) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL6723046 0.79 ATM (0.48) MAPK10LMNAALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL7402058 0.78 SRD5A2 (0.47) CA1CA2CA7CA9CA14
SCHEMBL6721155 0.76 PTGDR2 (0.49) LMNAMAPT

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 5 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
CN-1474812-A (dihydro) isoquinoline derivatives as phosphodiesterase inhibitors �ȿˡ��Ŷ��١���ķ������ѧ��˾ 2004-02-11 CN 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 CA1 3607/4885CA2 841/4885CA7 299/4885

“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.