SCHEMBL6715013

SCHEMBL6715013

COc1cc(C2=NCCc3ccc(Cl)cc32)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.53
MAPK14 Q16539 3/20 0.51
MAPK9 P45984 2/20 0.51
MAPK8 P45983 1/20 0.50
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL7066626 0.85 MAPK10 (0.49) MAPK10MAPK14MAPK9MAPK8ALDH1A1
SCHEMBL6716528 0.81 MAPK10 (0.58) MAPK10MAPK14MAPK9MAPK8ALDH1A1
SCHEMBL6718578 0.79 MAPK10 (0.43) MAPK10MAPK14MAPK9MAPK8ALDH1A1
SCHEMBL7398144 0.78 MAPK10 (0.53) MAPK10MAPK14MAPK9MAPK8ALDH1A1
Hydrochloric Acid SCHEMBL7407480 0.78 MAPK10 (0.53) MAPK10MAPK14MAPK9MAPK8ALDH1A1
SCHEMBL6718340 0.76 MAPK10 (0.50) MAPK10MAPK14MAPK9ALDH1A1LMNA
SCHEMBL6716720 0.75 MAPK10 (0.41) MAPK10MAPK14MAPK9MAPK8ALDH1A1
SCHEMBL6718746 0.74 DRD2 (0.48) MAPK10MAPK14MAPK9MAPK8LMNA
SCHEMBL102625 0.74 TSHR (0.58) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL9576016 0.74 CHEK1 (0.53) ALDH1A1LMNAHPGDMAPK1NPC1

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
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO 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 MAPK10 1836/4885MAPK14 2713/4885MAPK9 2308/4885

“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.