SCHEMBL2963046

SCHEMBL2963046

Cc1ccc(Sc2cccc(C#N)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HAO1 Q9UJM8 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.39
MCL1 Q07820 2/20 0.37
DHFR P00374 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
KCNK3 O14649 1/20 0.34

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
SCHEMBL2953050 0.84 MAOA (0.46) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2960215 0.81 DDAH1 (0.43) ALDH1A1
SCHEMBL2954296 0.74 SOS2 (0.39) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30468476 0.74 SOS2 (0.39) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2960826 0.72 MEN1 (0.40) KDM4EMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL26796099 0.72 SOS2 (0.40) MAPTHPGDALDH1A1
SCHEMBL24345242 0.70 CTSS (0.51) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2952857 0.70 IDH1 (0.38) KDM4EMAPTCYP2C9CYP2C19NPC1
SCHEMBL2960932 0.70 CTSK (0.38)
SCHEMBL2953350 0.70 SQOR (0.41) KDM4EMAPTL3MBTL1LMNATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US 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

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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 KDM4E 3627/4885MAPT 3466/4885CYP1A2 2284/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 KDM4E 3627/4885MAPT 3466/4885CYP1A2 2284/4885

“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.