SCHEMBL6717995

SCHEMBL6717995

O=[N+]([O-])c1cccc(C2=NCCc3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
LAP3 P28838 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
TDP2 O95551 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPRC P08575 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MPI P34949 1/20 0.44

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
SCHEMBL6718340 0.85 MAPK10 (0.50) SMN1; SMN2LMNAALDH1A1TDP2
SCHEMBL6714889 0.85 MAPK10 (0.53) SMN1; SMN2LMNAALDH1A1TDP2
SCHEMBL6779933 0.85 MAPK10 (0.48) SMN1; SMN2LMNALAP3TDP2NPC1
SCHEMBL6718815 0.85 MAPK10 (0.51) SMN1; SMN2LMNALAP3TDP2NPC1
SCHEMBL6716592 0.85 MAPT (0.46) SMN1; SMN2LMNAMAPTHPGDKMT2A
SCHEMBL11482684 0.81 MAPT (0.51) ALDH1A1MAPTHPGDPOLBKMT2A
SCHEMBL6720494 0.79 CA1 (0.43) SMN1; SMN2LMNAALDH1A1MAPTTDP2
SCHEMBL11476901 0.79 MAPT (0.46) LMNAALDH1A1MAPTKMT2A
SCHEMBL29384557 0.76 MAPK10 (0.55) LMNAALDH1A1
SCHEMBL163051 0.76 MAPK10 (0.55) LMNAALDH1A1

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 3685/4885LMNA 1790/4885LAP3 1266/4885

“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.