SCHEMBL7442028

SCHEMBL7442028

COc1ccc(-c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.88
CA1 P00915 4/20 0.88
CA2 P00918 4/20 0.88
PARP4 Q9UKK3 2/20 0.88
PARP1 P09874 1/20 0.88
PARP2 Q9UGN5 1/20 0.88
MAP4K4 O95819 1/20 0.75
MKNK1 Q9BUB5 2/20 0.65
MKNK2 Q9HBH9 2/20 0.65
MAPKAPK2 P49137 3/20 0.63
CHEK2 O96017 1/20 0.63
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
PARP15 Q460N3 1/20 0.59
PARP14 Q460N5 1/20 0.59
PARP16 Q8N5Y8 1/20 0.59
PARP11 Q9NR21 1/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
NPC1 O15118 1/20 0.58

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
SCHEMBL201761 0.94 PARP10 (1.00) PARP10CA1CA2PARP4PARP1
Hydrochloric Acid SCHEMBL408766 0.91 PARP10 (0.95) PARP10CA1CA2PARP4PARP1
Hydrochloric Acid SCHEMBL4376056 0.91 PARP10 (0.95) PARP10CA1CA2PARP4PARP1
SCHEMBL27571315 0.88 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
Acetic Acid SCHEMBL28396208 0.88 PARP10 (0.88) PARP10CA1CA2PARP4PARP1
SCHEMBL5836337 0.88 PARP10 (1.00) PARP10CA1CA2PARP4PARP1
SCHEMBL28188209 0.86 RXRA (0.71) PARP10CA1CA2PARP4PARP1
SCHEMBL8406724 0.86 PARP10 (0.84) PARP10CA1CA2PARP4PARP1
Ethylene Glycol SCHEMBL1232077 0.86 PARP10 (0.84) PARP10CA1CA2PARP4PARP1
SCHEMBL11600003 0.86 PARP10 (0.84) PARP10CA1CA2PARP4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 CN claimed
CN-115872947-B Benzisothiazole benzamide compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2024-04-19 CN disclosed
WO-2017064490-A1 CROSS-LINKABLE CHARGE TRANSPORT MATERIALS LOMOX LIMITED (GB) 2017-04-20 WO disclosed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 CN disclosed
CN-1115330-C N- (4-amidinophenyl) glycinamide derivatives HOFFMANN LA ROCHE (CH) 2003-07-23 CN disclosed
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-6160157-A Preparation of 4-cyano-4'-hydroxybiphenyl SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 2000-12-12 US disclosed
US-6090817-A Phenylpyridine derivatives useful as phosphodiesterase inhibitors NOVARTIS AG (CH) 2000-07-18 US disclosed
EP-0970045-A1 PREPARATION OF 4-CYANO-4'-HYDROXY BIPHENYL Société d'Expansion Scientifique Expansia (FR) 2000-01-12 EP disclosed
CN-1224714-A N- (4-amidinophenyl) glycinamide derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed
EP-0885193-A1 TRIARYL COMPOUNDS Novartis AG (CH) 1998-12-23 EP disclosed
WO-1998037060-A1 PREPARATION OF 4-CYANO-4'-HYDROXY BIPHENYL SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 1998-08-27 WO disclosed
WO-1997032853-A1 TRIARYL COMPOUNDS NOVARTIS AG (CH) 1997-09-12 WO disclosed
CN-1090282-A The cycloalkyl that benzenefused, hydroxy replaces and the sulfone amide derivative of heterogeneous ring compound PFIZER (US) 1994-08-03 CN 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 PARP10 2254/4885CA1 3809/4885CA2 863/4885

“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.