SCHEMBL8979738

SCHEMBL8979738

NC(=O)c1[c]cccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IKBKB O14920 2/20 0.32
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL3727876 0.83 MMP2 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11516367 0.78 KDM4E (0.45) CYP3A4ALOX15CASP7SMN1; SMN2MAPT
SCHEMBL10482945 0.78 KDM4E (0.45) CYP3A4MAPTHSD17B10TSHRPOLB
SCHEMBL10822473 0.77 PARP1 (0.35) CYP3A4MAPTHSD17B10TSHRPOLB
SCHEMBL3980869 0.77 CES2 (0.37) CYP3A4ALOX15SMN1; SMN2MAPTHSD17B10
SCHEMBL8013581 0.76 GAA (0.32) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11294754 0.76 MAPT (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6790765 0.76 ALDH1A1 (0.52) ALOX15CASP1CASP7MAPTHSD17B10
SCHEMBL28249598 0.72 GRM6 (0.38) ALOX15SMN1; SMN2MAPTHSD17B10TSHR
SCHEMBL27749672 0.72 ALDH1A1 (0.56) CYP3A4ALOX15SMN1; SMN2MAPTHSD17B10

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 16 patents. 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
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
CN-104961723-A 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LAB 2015-10-07 CN disclosed
CN-101155797-B 1H-benzimidazole-4-carboxamide compounds substituted at the 2-position with a quaternary carbon atom are potent PARP inhibitors ABBOTT LAB 2015-04-29 CN disclosed
CN-104302640-A 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS INC 2015-01-21 CN disclosed
US-5482831-A Wash composition containing signal stop reagent, test kit and method of use with peroxidase-labeled specific binding ligand JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-01-09 US disclosed
US-5460946-A Diagnostic test kit and specific binding assay using modulator of signal resulting from peroxidase label EASTMAN KODAK COMPANY (US) 1995-10-24 US disclosed
US-5252457-A Using acyl hydrazines as stopping agent; Streptococcus A detection; colorimetric, fluorescent or chemiluminescent signal EASTMAN KODAK COMPANY (US) 1993-10-12 US disclosed
EP-0537826-A1 Diagnostic test kit and specific binding assay using a peroxidase label and a modulator of signal EASTMAN KODAK COMPANY (US) 1993-04-21 EP disclosed
EP-0537825-A1 Wash composition containing signal stop reagent, test kit and method of use with peroxidase-labeled specific binding ligand Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-04-21 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 CYP3A4 192/4885ALOX15 2514/4885CASP1 4496/4885
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE GABRB1, GABBR1, GABBR2 CYP3A4 192/4885ALOX15 2514/4885CASP1 4496/4885

“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.