SCHEMBL61449

SCHEMBL61449

O=C1O[C]Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
MAOB P27338 2/20 0.54
CES1 P23141 2/20 0.41
BCHE P06276 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.36
PDPK1 O15530 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
TDP2 O95551 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL3128 0.75
SCHEMBL2851479 0.75
SCHEMBL1451688 0.73 MAOA (0.46) MAOAMAOBCES1BCHESMN1; SMN2
SCHEMBL22284 0.70 MAOA (1.00) MAOAMAOBCES1BCHESMN1; SMN2
SCHEMBL6903786 0.70 MAOA (1.00) MAOAMAOBCES1BCHESMN1; SMN2
SCHEMBL11522370 0.70 MAOA (1.00) MAOAMAOBCES1BCHESMN1; SMN2
SCHEMBL6353583 0.70 MAOA (1.00) MAOAMAOBCES1BCHESMN1; SMN2
SCHEMBL29448271 0.70 MAOA (1.00) MAOAMAOBCES1BCHESMN1; SMN2
Fluoride SCHEMBL8592140 0.68 MAOA (0.95) MAOAMAOBCES1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL11215152 0.68 MAOA (0.95) MAOAMAOBCES1SMN1; SMN2TDP1

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 1120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
CN-106795174-B Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof 扬州蓝色生物医药科技有限公司 2020-04-28 CN claimed
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP claimed
US-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2011-06-02 US claimed
US-7569561-B2 2,4-diaminopyrimidines useful for treating cell proliferation diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 US claimed
US-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor BENGTSSON MALENA 2009-07-02 US claimed
US-7553831-B2 Beta-secretase inhibitors; inhibiting cleavage of amyloid precursor protein (APP); hydroxy-functional disubstituted amines such as 6-(([[(2S,3S)-4-(3,5-difluorophenyl)-3-((3-[(dipropylamino)carbonyl]benzoyl)amino)-2-hydroxybutyl](ethyl)amino]carbonyl)amino)hexanoic acid ELAN PHARMACEUTICALS, INC. (US) 2009-06-30 US claimed
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 US claimed
US-20090074746-A1 Compounds to treat alzheimer's disease ALZHEIMER'S COLLABORATION 2009-03-19 US claimed
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-0739203-A4 METHOD FOR TREATING DISEASES MEDIATED BY CELLULAR PROLIFERATION IN RESPONSE TO PDGF, EGF, FGF AND VEGF CELL THERAPEUTICS INC (US) 2000-12-20 EP claimed
US-5985926-A VIRICIDES OF AMINE COMPOUNDS AND HYDROCARBONS CELL THERAPEUTICS, INC. (US) 1999-11-16 US claimed
US-5856331-A LYSOPHOSPHATIDIC ACYLTRANSFERASE INHIBITOR CELL THERAPEUTICS, INC. (US) 1999-01-05 US claimed
EP-0739203-A1 METHOD FOR TREATING DISEASES MEDIATED BY CELLULAR PROLIFERATION IN RESPONSE TO PDGF, EGF, FGF AND VEGF CELL THERAPEUTICS, INC. (US) 1996-10-30 EP claimed
EP-0728003-A1 METHOD FOR PREVENTING TISSUE INJURY FROM HYPOXIA CELL THERAPEUTICS, INC. (US) 1996-08-28 EP claimed
EP-0676958-A1 METHOD FOR INHIBITING INTRACELLULAR VIRAL REPLICATION CELL THERAPEUTICS, INC. (US) 1995-10-18 EP claimed
WO-1995019171-A1 METHOD FOR TREATING DISEASES MEDIATED BY CELLULAR PROLIFERATION IN RESPONSE TO PDGF, EGF, FGF AND VEGF CELL THERAPEUTICS, INC. (US) 1995-07-20 WO claimed
WO-1995013075-A1 METHOD FOR PREVENTING TISSUE INJURY FROM HYPOXIA CELL THERAPEUTICS, INC. (US) 1995-05-18 WO claimed
WO-1995012396-A1 METHOD FOR INHIBITING INTRACELLULAR VIRAL REPLICATION CELL THERAPEUTICS, INC. (US) 1995-05-11 WO 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-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 MAOA 3962/4885MAOB 3494/4885CES1 1436/4885
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 MAOA 4318/4885MAOB 4093/4885CES1 1130/4885
US-20090074746-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT MAOA 12/4885MAOB 14/4885CES1 1671/4885
US-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 MAOA 4380/4885MAOB 4200/4885CES1 1291/4885

“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.