SCHEMBL1740872

SCHEMBL1740872

CC(=O)Nc1c[c]c(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 1/20 0.50
ALOX5AP P20292 1/20 0.50

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
SCHEMBL11121919 0.81 PTPN11 (0.47) KMT2AMEN1
SCHEMBL973371 0.80 KMT2A (0.55) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL10344720 0.79 TSHR (0.53) CA12CA1CA2TSHRCA9
SCHEMBL3064656 0.78 SMN1; SMN2 (0.50) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL95120 0.78 SMN1; SMN2 (0.50) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL2683899 0.78 SMN1; SMN2 (0.50) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL97146 0.76 SMN1; SMN2 (0.52) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL861674 0.75 SMN1; SMN2 (0.84) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL6592103 0.74 CA1 (0.46) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL11125734 0.74 MEN1 (0.35) TDP1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US claimed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP claimed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 WO claimed
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-16 US claimed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP claimed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US claimed
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US disclosed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP disclosed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 WO disclosed
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-16 US disclosed
EP-2393552-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2011-12-14 EP disclosed
WO-2010090299-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-12 WO disclosed
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1999032448-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 1999-07-01 WO disclosed
WO-1999028303-A1 PROCESS OF PREPARING SUBSTITUTED PYRIMIDINONES AMGEN, INC. (US) 1999-06-10 WO disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
EP-0028351-B1 REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS CONTAINING OH OR NH BAYER AG (DE) 1984-02-22 EP disclosed
EP-0028351-A2 Reactive dyestuffs and their use in dyeing materials containing OH or NH BAYER AG (DE) 1981-05-13 EP 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 (2 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-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 TDP1 2334/4885SMN1; SMN2 2210/4885L3MBTL1 4293/4885
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE GABRB1, GABBR1, GABBR2 TDP1 2334/4885SMN1; SMN2 2210/4885L3MBTL1 4293/4885

“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.