SCHEMBL3061978

SCHEMBL3061978

O=C(O)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.67
NR4A2 P43354 1/20 0.67
NR4A3 Q92570 1/20 0.67
SLC9A1 P19634 1/20 0.65
RPA1 P27694 1/20 0.63
ALDH1A1 P00352 4/20 0.62
HPGD P15428 2/20 0.62
S1PR4 O95977 1/20 0.60
PDE4B Q07343 3/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 3/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PKM P14618 1/20 0.57
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL3059961 0.87 SLC9A1 (0.65) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL1219840 0.85 SLC9A1 (0.63) SLC9A1ALDH1A1HPGDS1PR4PDE4B
SCHEMBL27585207 0.85 SLC9A1 (0.72) SLC9A1ALDH1A1HPGDS1PR4PDE4B
SCHEMBL3065831 0.84 RPA1 (0.64) NR4A1NR4A2NR4A3SLC9A1RPA1
SCHEMBL4945600 0.83 ALDH1A1 (0.67) SLC9A1ALDH1A1HPGDS1PR4PDE4B
SCHEMBL11634177 0.82 SLC9A1 (0.56) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL31686383 0.81 NR4A1 (0.69) NR4A1NR4A2NR4A3RPA1ALDH1A1
SCHEMBL1313933 0.81 NR4A1 (0.69) NR4A1NR4A2NR4A3RPA1ALDH1A1
SCHEMBL4532675 0.80 NR4A1 (0.67) NR4A1NR4A2NR4A3SLC9A1RPA1
SCHEMBL244341 0.80 NR4A1 (0.67) NR4A1NR4A2NR4A3SLC9A1RPA1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 US claimed
JP-2006505526-A 2006-02-16 JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed
CN-117567450-A Oxazolone compound, pharmaceutical composition and application thereof 中国药科大学 2024-02-20 CN disclosed
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US disclosed
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US disclosed
CN-1178932-C Amide derivatives 2004-12-08 CN disclosed
US-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
EP-1435934-A1 5'-ACYLAMINO-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed
WO-2003032971-A1 5’-ACYLAMINO-1,1’-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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 (3 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-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP3K1, MAPK7 NR4A1 1899/4885NR4A2 2812/4885NR4A3 2794/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R NR4A1 380/4885NR4A2 162/4885NR4A3 345/4885
US-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 NR4A1 3549/4885NR4A2 3528/4885NR4A3 2774/4885

“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.