SCHEMBL6718340

SCHEMBL6718340

O=[N+]([O-])c1cccc(C2=NCCc3ccc(Cl)cc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.50
MAPK14 Q16539 2/20 0.50
MAPK9 P45984 1/20 0.50
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL6714889 0.90 MAPK10 (0.53) MAPK10MAPK14MAPK9ALDH1A1TDP1
SCHEMBL6718578 0.86 MAPK10 (0.43) MAPK10MAPK14MAPK9ALDH1A1TDP1
SCHEMBL6779933 0.85 MAPK10 (0.48) MAPK10MAPK14MAPK9LMNASMN1; SMN2
SCHEMBL6717995 0.85 SMN1; SMN2 (0.49) ALDH1A1LMNASMN1; SMN2TDP2
SCHEMBL28340992 0.79 MAPK10 (0.58) MAPK10MAPK14MAPK9ALDH1A1LMNA
SCHEMBL6718815 0.78 MAPK10 (0.51) MAPK10MAPK14MAPK9LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6718286 0.77 MAPK10 (0.53) MAPK10MAPK14MAPK9ALDH1A1LMNA
SCHEMBL6715013 0.76 MAPK10 (0.53) MAPK10MAPK14MAPK9ALDH1A1LMNA
SCHEMBL27601351 0.76 MAPK10 (0.52) MAPK10MAPK14MAPK9ALDH1A1CNR1
Hydrochloric Acid SCHEMBL6715145 0.75 CA1 (0.48) MAPK10MAPK14MAPK9TDP1

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 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.