SCHEMBL6716736

SCHEMBL6716736

O=[N+]([O-])c1ccc(C2=NCCc3ccc(Oc4ccccc4)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHEK2 O96017 1/20 0.44
FFAR1 O14842 1/20 0.42
MAPK10 P53779 1/20 0.42
LMNA P02545 3/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
BTK Q06187 1/20 0.40
HPGD P15428 1/20 0.40
PDE4D Q08499 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL6715022 0.82 MAOA (0.46) ALDH1A1MEN1KMT2AMAPTCHEK2
SCHEMBL6716592 0.80 MAPT (0.46) MEN1KMT2AMAPTMAPK10LMNA
SCHEMBL6724564 0.78 MAPK10 (0.48) KDM4EALDH1A1MAPTMAPK10LMNA
SCHEMBL6718578 0.78 MAPK10 (0.43) MCL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6776203 0.74 FFAR1 (0.60) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL6724676 0.74 PGR (0.62) FFAR1
SCHEMBL6718287 0.72 FFAR1 (0.47) MAPTFFAR1NR3C1
SCHEMBL6715043 0.72 CA1 (0.37) ALDH1A1KMT2AFFAR1MAPK10LMNA
SCHEMBL7109609 0.72 LMNA (0.78) KDM4EALDH1A1MAPTMAPK10LMNA
SCHEMBL2340188 0.72 ALDH1A1 (0.62) ALDH1A1MAPK10LMNAPDE4DCA1

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 MCL1 4558/4885KDM4E 1554/4885ALDH1A1 213/4885

“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.