SCHEMBL6718211

SCHEMBL6718211

COc1cc(C2=NCCc3ccccc32)ccc1NS(=O)(=O)c1ccc(-c2ccon2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GHSR Q92847 6/20 0.41
F10 P00742 1/20 0.41
PFKFB3 Q16875 2/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H2 P55055 1/20 0.39
MMP8 P22894 4/20 0.37
MMP3 P08254 2/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PFKFB4 Q16877 1/20 0.36

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
SCHEMBL6720417 0.90 NPC1 (0.41) NPC1RAB9AGHSRF10PFKFB3
SCHEMBL6724818 0.84 KMT2A (0.52) F10PFKFB3TP53MEN1KMT2A
SCHEMBL6780301 0.83 PFKFB3 (0.55) F10PFKFB3TP53MEN1KMT2A
SCHEMBL6724853 0.78 MAPK10 (0.43) GHSRMAPK10ALDH1A1LMNATSHR
SCHEMBL6718026 0.77 CA1 (0.42) MAPK10ALDH1A1LMNA
SCHEMBL6716456 0.77 CA2 (0.47) RAB9ATP53MAPK10ALDH1A1LMNA
SCHEMBL6720396 0.75 KMT2A (0.51) F10PFKFB3TP53MEN1KMT2A
SCHEMBL6716880 0.75 MEN1 (0.55) GHSRMEN1KMT2AMAPK10ALDH1A1
SCHEMBL6716609 0.75 MEN1 (0.49) F10PFKFB3TP53MEN1KMT2A
SCHEMBL7209338 0.74 CA1 (0.45) KMT2AMAPK10ALDH1A1LMNA

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 NPC1 3889/4885RAB9A 480/4885GHSR 3822/4885

“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.