SCHEMBL7444887

SCHEMBL7444887

COc1ccccc1-c1cc(-c2ccc3ccccc3n2)ccc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
SMN1; SMN2 Q16637 6/20 0.74
KDM4E B2RXH2 6/20 0.74
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
ACACA Q13085 1/20 0.50
HPGD P15428 2/20 0.48
DHODH Q02127 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AR P10275 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PDE4A P27815 1/20 0.46

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
SCHEMBL7504049 0.89 KDM4E (0.74) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30702310 0.85 KDM4E (1.00) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5682766 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL29746285 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6856561 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27592710 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL38654589 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL23956222 0.81 NPC1 (0.67) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL31193719 0.81 KDM4E (0.76) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27512544 0.80 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410547-B1 (4-OXY-3-(ARYL)PHENYL)PYRIDINE FOR TREATMENT, PROPHYLAXIS OF INFLAMMATION, ESP. INFLAMMATORY OR OBSTRUCTIVE DISEASES OF THE AIRWAYS, E.G. FOR ASTHMA THERAPY; INHIBITORS OF PDE 4 ISOENZYME; DOWN REGULATE OR INHIBIT TNF-ALPHA RELEASE NOVARTIS AG (CH) 2002-06-25 US disclosed
US-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors MANLEY PAUL W (CH) 2002-03-07 US disclosed
US-6288092-B1 BIPHENYL PYRIDINES, BENZAMIDES AND PENYLCARBOXY COMPOUNDS USED AS SELECTIVE INHIBITORS OF PHOSPHODIESTERASE 4 ISOENZYME ACTIVITY AND DOWN REGULATORS OR INHIBIT TUMOR NECROSIS FACTOR RELEASE; ANTIHISTAMINES AND ANTIINFLAMMATORY NOVARTIS AG (CH) 2001-09-11 US disclosed
US-6258843-B1 DRUGS AS ENZYME INHIBITORS NOVARTIS AG (CH) 2001-07-10 US disclosed
US-6090817-A Phenylpyridine derivatives useful as phosphodiesterase inhibitors NOVARTIS AG (CH) 2000-07-18 US disclosed
EP-0885193-A1 TRIARYL COMPOUNDS Novartis AG (CH) 1998-12-23 EP disclosed
WO-1997032853-A1 TRIARYL COMPOUNDS NOVARTIS AG (CH) 1997-09-12 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-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 ALDH1A1 747/4885SMN1; SMN2 4126/4885KDM4E 352/4885

“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.