SCHEMBL6714889

SCHEMBL6714889

O=[N+]([O-])c1cccc(C2=NCCc3cc(Cl)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.53
MAPK14 Q16539 3/20 0.53
MAPK9 P45984 2/20 0.53
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
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
GABRA4 P48169 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
SCHEMBL6718340 0.90 MAPK10 (0.50) MAPK10MAPK14MAPK9ALDH1A1TDP1
SCHEMBL6718815 0.85 MAPK10 (0.51) MAPK10MAPK14MAPK9LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6715145 0.85 CA1 (0.48) MAPK10MAPK14MAPK9TDP1MAPK8
SCHEMBL6717995 0.85 SMN1; SMN2 (0.49) ALDH1A1LMNASMN1; SMN2TDP2
SCHEMBL6720494 0.80 CA1 (0.43) MAPK10MAPK14MAPK9ALDH1A1LMNA
SCHEMBL8215360 0.79 MAPK10 (0.62) MAPK10MAPK14MAPK9ALDH1A1CA1
SCHEMBL6724767 0.78 MAPK10 (0.55) MAPK10MAPK14MAPK9ALDH1A1LMNA
SCHEMBL6779933 0.78 MAPK10 (0.48) MAPK10MAPK14MAPK9LMNASMN1; SMN2
SCHEMBL6718578 0.76 MAPK10 (0.43) MAPK10MAPK14MAPK9ALDH1A1TDP1
SCHEMBL30469330 0.76 ALDH1A1 (0.61) ALDH1A1TDP1LMNASMN1; SMN2KEAP1

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.