SCHEMBL533758

SCHEMBL533758

O=C1COc2cc[c]cc2N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
PARP1 P09874 3/20 0.47
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.41
GAA P10253 2/20 0.40
NR3C2 P08235 3/20 0.40
HPGD P15428 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL75634 0.86 MMP12 (0.47) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL910444 0.80 MMP12 (0.44) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL30293243 0.76 MMP12 (0.56) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6518631 0.76 MMP12 (0.56) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL88746 0.73 MMP12 (0.58) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4471041 0.72 PARP1 (0.58) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL861110 0.71 MMP12 (0.65) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL29754331 0.71 MMP12 (0.65) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL910295 0.71 MMP12 (0.44) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL21824331 0.70 CYP11B1 (0.54) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
CN-115884773-A Pharmaceutical preparation 詹森药业有限公司 2023-03-31 CN claimed
WO-2023026185-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME ARENA PHARMACEUTICALS, INC. (US) 2023-03-02 WO claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-115210567-A Methods of assessing efficacy of MALT1 inhibitors using NF-KB translocation assays 詹森药业有限公司 2022-10-18 CN claimed
EP-4061966-A1 NF-KB REGULATED GENE EXPRESSION ASSAY FOR ASSESSING EFFICACY OF MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2022-09-28 EP claimed
EP-4062175-A1 METHODS FOR ASSESSING EFFICACY OF MALT1 INHIBITORS USING AN NF-KB TRANSLOCATION ASSAY Janssen Pharmaceutica NV (BE) 2022-09-28 EP claimed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO claimed
WO-2004017974-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 WO claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP claimed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO claimed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US claimed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP claimed
US-5321025-A Inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-14 US claimed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US claimed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 MMP12 4338/4885PARP1 4800/4885ALDH1A1 700/4885
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID MALT1, MGAM, MGLL MMP12 1939/4885PARP1 1712/4885ALDH1A1 2560/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP12 1080/4885PARP1 2261/4885ALDH1A1 356/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 MMP12 4283/4885PARP1 4799/4885ALDH1A1 682/4885

“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.