SCHEMBL2875591

SCHEMBL2875591

O=C1COc2cc[c]cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.36
MAOA P21397 4/20 0.36
PSMB5 P28074 1/20 0.35
HSD17B10 Q99714 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
PKM P14618 2/20 0.35
NPC1 O15118 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 6/20 0.34
KDM4E B2RXH2 3/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PARP1 P09874 1/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL6341942 0.84 MAOA (0.36) MAOBMAOAPSMB5HSD17B10RAB9A
SCHEMBL3185228 0.81 MAOB (0.46) MAOBMAOARAB9ASMN1; SMN2NPC1
SCHEMBL7414557 0.77 MAPT (0.56) MAOBMAOARAB9ASMN1; SMN2KMT2A
SCHEMBL5840401 0.74 MAOA (0.48) MAOBMAOAHSD17B10RAB9ASMN1; SMN2
SCHEMBL2876637 0.73
3-Coumaranone SCHEMBL69412 0.70 PKM (0.56) MAOBMAOAHSD17B10RAB9ASMN1; SMN2
SCHEMBL1450927 0.69 MAOA (0.57) MAOBMAOAHSD17B10KMT2ACYP1A2
SCHEMBL533758 0.68 MMP12 (0.51) SMN1; SMN2KMT2APKMMAPTALDH1A1
SCHEMBL2929432 0.67 PKM (0.52) MAOBMAOAHSD17B10RAB9ASMN1; SMN2
SCHEMBL1450493 0.66 PDE3B (0.42) MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-12-02 US claimed
WO-2010127272-A2 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-11-04 WO claimed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP claimed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US claimed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO claimed
WO-2023131868-A1 HETEROCYCLIC INHIBITORS OF GLUT9 FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2023-07-13 WO disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
WO-2010127272-A2 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1283825-B1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS NOVARTIS AG (CH) 2005-09-14 EP disclosed
US-6812237-B2 (ARYLAMINOACEAMIDO)ACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2004-11-02 US disclosed
US-20030158256-A1 N-substituted peptidyl nitriles as cysteine cathepsin inhibitors NOVARTIS AG (CH) 2003-08-21 US disclosed
EP-1283825-A1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS Novartis AG (CH) 2003-02-19 EP disclosed
WO-2001087828-A1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS NOVARTIS AG (CH) 2001-11-22 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 (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-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES STS, PRSS1, PRSS3 MAOB 3820/4885MAOA 3233/4885PSMB5 776/4885
US-20030158256-A1 N-substituted peptidyl nitriles as cysteine cathepsin inhibitors CTSS, CTSV, CTSF MAOB 892/4885MAOA 1393/4885PSMB5 311/4885
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB MAOB 905/4885MAOA 837/4885PSMB5 2121/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAOB 11/4885MAOA 21/4885PSMB5 2151/4885

“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.