SCHEMBL2959641

SCHEMBL2959641

O=C1c2ccccc2C(=O)N1Cc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 1/20 1.00
PKM P14618 1/20 1.00
KMT2A Q03164 1/20 1.00
HSD17B10 Q99714 1/20 0.70
CYP1B1 Q16678 1/20 0.65
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.53
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
GRM5 P41594 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
BRD4 O60885 1/20 0.50
TYR P14679 3/20 0.48
CASP3 P42574 1/20 0.47
GLS O94925 1/20 0.47

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
SCHEMBL30711693 1.00 ALDH1A1 (1.00) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL4095117 0.87 ALDH1A1 (0.77) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL8314773 0.84 ALDH1A1 (0.72) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL19889218 0.82 MEN1 (0.68) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL3281437 0.82 HSD17B10 (1.00) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL4625520 0.82 ALDH1A1 (0.69) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL10430902 0.81 ALDH1A1 (0.68) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL8377843 0.81 ALDH1A1 (0.68) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL29843133 0.81 ALDH1A1 (0.68) ALDH1A1MEN1PKMKMT2AHSD17B10
SCHEMBL240611 0.81 MEN1 (0.68) ALDH1A1MEN1PKMKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-23 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
EP-2012791-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2009-01-14 EP disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
WO-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 WO disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
CN-1050191-A New thiazole derivative, they the preparation method and contain their pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1991-03-27 CN 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 (6 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 ALDH1A1 273/4885MEN1 203/4885PKM 1705/4885
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 ALDH1A1 1021/4885MEN1 4000/4885PKM 1410/4885
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 ALDH1A1 2635/4885MEN1 3406/4885PKM 4448/4885
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators KEAP1, NFE2L2, HMOX1 ALDH1A1 1021/4885MEN1 4000/4885PKM 1410/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 ALDH1A1 1021/4885MEN1 4000/4885PKM 1410/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885MEN1 203/4885PKM 1705/4885

“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.