SCHEMBL7439701

SCHEMBL7439701

COc1ccc(-c2ccc(C(N)=O)cc2)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
PDE4A P27815 5/20 0.58
PDE4B Q07343 5/20 0.58
PDE4C Q08493 5/20 0.58
PDE4D Q08499 5/20 0.58
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
ERN1 O75460 1/20 0.52
CHEK1 O14757 1/20 0.52
CHEK2 O96017 1/20 0.52
TSHR P16473 2/20 0.51
APOBEC3A P31941 1/20 0.51
HTT P42858 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
PKM P14618 1/20 0.50
MAP4K4 O95819 1/20 0.50

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
SCHEMBL8156286 0.86 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL7502240 0.85 ALDH1A1 (0.62) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL14499515 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7281201 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL29697785 0.80 MAPT (0.56) ALDH1A1PDE4ACYP1A2CYP2C19CYP2D6
SCHEMBL12326165 0.80 MAPT (0.56) ALDH1A1PDE4ACYP1A2CYP2C19CYP2D6
SCHEMBL7274040 0.78 AR (0.59) PDE4APDE4BPDE4CPDE4DERN1
SCHEMBL4599581 0.78 ERN1 (0.72) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11220116 0.78 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL25747758 0.78 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCHEK1

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 747/4885PDE4A 1/4885PDE4B 2/4885

“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.