SCHEMBL2519308

SCHEMBL2519308

CC(=O)CC(=O)c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 2/20 0.65
▸ FEN1 P39748 2/20 0.65
▸ RAB9A P51151 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CES2 O00748 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 4/20 0.49
▸ MAPT P10636 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CXCR3 P49682 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL29987169 0.87 ERCC5 (0.74) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL4024952 0.82 ERCC5 (0.53) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL2869896 0.82 FEN1 (0.46) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL29033943 0.82 ERCC5 (0.67) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL4020872 0.82 ERCC5 (0.72) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL8178866 0.81 MEN1 (0.54) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL30335736 0.81 ERCC5 (0.61) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL853580 0.81 ERCC5 (0.61) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL30802824 0.80 ERCC5 (0.65) ERCC5FEN1RAB9AMEN1KMT2A
SCHEMBL2492019 0.80 ERCC5 (0.65) ERCC5FEN1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108203408-B Pyrazole compound containing N-aryl sulfonate as well as synthesis and application thereof 兰州大学 2020-07-21 — — CN disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 — — US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 — — EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 — — US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 — — US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 — — US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 — — EP disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 — — US disclosed
US-4508730-A 1,7-Dihydro-pyrrolo[3,4-e][1,4]diazepin-2(3H)-one derivatives a process for preparing them and their use as anticonvulsant and anti-anxiety agents GRUPPO LEPETIT S.P.A. (IT) 1985-04-02 — — US disclosed
EP-0102602-A1 1,7-Dihydro-pyrrolo(3,4-e)(1,4)Diazepin-2(3H)-one derivatives, a process for preparing them and their use as anticonvulsant and antianxiety agents GRUPPO LEPETIT S.p.A. (IT) 1984-03-14 — — EP disclosed
US-4402970-A ANTICONVULSANTS, TRANQUILLIZERS GRUPPO LEPETIT S.P.A. (IT) 1983-09-06 — — US disclosed
EP-0066762-A2 1,7-Dihydro-pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one derivatives GRUPPO LEPETIT S.P.A. (IT) 1982-12-15 — — EP disclosed
US-4212806-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, ANTIDEPRESSANT GRUPPO LEPETIT S.P.A. (IT) 1980-07-15 — — US disclosed
US-4211709-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-07-08 — — US disclosed
US-4211708-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-07-08 — — US disclosed
US-4198502-A ANTIINFLAMMATORY AGENT, CNS DEPRESSANTS, ANALGESICS, ANTIPYRETICS, ANTIULCER AGENTS GRUPPO LEPETIT S.P.A. (IT) 1980-04-15 — — US disclosed
US-4140696-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND CNS DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1979-02-20 — — US disclosed
US-3946057-A ALKYLENE OXIDE, METAL HALIDE, POLAR SOLVENT UNION CARBIDE CORPORATION (US) 1976-03-23 — — US 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-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 ERCC5 4344/4885FEN1 2746/4885RAB9A 1324/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB ERCC5 3483/4885FEN1 3946/4885RAB9A 3008/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ERCC5 3361/4885FEN1 3870/4885RAB9A 3002/4885

“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.

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