SCHEMBL2961598

SCHEMBL2961598

CCCOc1cccc(C#N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
CTSS P25774 1/20 0.39
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX3 P56373 5/20 0.36
MGLL Q99685 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL24305913 0.89 ALDH1A1 (0.45) GABRA5ALDH1A1MGLLMCHR1HTT
SCHEMBL2952806 0.86 GABRA5 (0.49) GABRA5CTSSP2RX3MGLL
SCHEMBL2521218 0.81 HTR7 (0.47) GABRA5HTR7ALDH1A1MAPK1MCHR1
SCHEMBL27997109 0.80 GABRA5 (0.43) GABRA5CTSSHTR7P2RX3MGLL
SCHEMBL26750064 0.78 NUDT1 (0.46) GABRA5CTSSHTR7ALOX5APFEN1
SCHEMBL874972 0.76 NQO1 (0.44) GABRA5P2RX3MGLL
SCHEMBL29530386 0.76 NQO1 (0.44) GABRA5P2RX3MGLL
SCHEMBL2520179 0.75 LTA4H (0.50) GABRA5HTR7ALDH1A1MCHR1MAPT
SCHEMBL8903633 0.75 MCHR1 (0.42) HTR7MGLLMCHR1
SCHEMBL2959124 0.75 GABRA5 (0.55) GABRA5ALDH1A1MAPK1HSD17B10MAPT

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 GABRA5 3635/4885CTSS 3122/4885HTR7 3043/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 GABRA5 3635/4885CTSS 3122/4885HTR7 3043/4885

“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.