SCHEMBL1001394

SCHEMBL1001394

O=c1nc(-c2ccncc2)sc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.60
GABRA1 P14867 1/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
KDM4E B2RXH2 2/20 0.60
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
CDC7 O00311 6/20 0.44
DBF4 Q9UBU7 6/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 1/20 0.43
RECQL P46063 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL13186559 0.88 MIF (0.61) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL3185812 0.85 MIF (0.58) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL1002446 0.83 RAB9A (0.63) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL3183486 0.82 ALDH1A1 (0.61) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL3175028 0.81 MIF (0.51) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL2956302 0.80 MIF (0.56) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL13199685 0.80 MIF (0.52) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL2960993 0.79 MIF (0.56) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL3181413 0.78 MIF (0.51) MIFGABRA1NPC1RAB9AKDM4E
SCHEMBL2961592 0.78 MIF (0.62) MIFGABRA1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173360-B2 Cell death inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US disclosed
US-8173360-B2 Cell death inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US disclosed
US-8173360-B2 Cell death inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-08 US disclosed
EP-2270505-A1 A method of screening a cell death inhibitor using macrophage migration inhibitory factor (MIF) Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2270505-A1 A method of screening a cell death inhibitor using macrophage migration inhibitory factor (MIF) Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20100099106-A1 CELL DEATH INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-22 US disclosed
US-20100099106-A1 CELL DEATH INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-22 US disclosed
US-20100099106-A1 CELL DEATH INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-22 US disclosed
US-7659267-B2 1,3-Benzothiazinone derivatives, process for producing the same use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-09 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20060052371-A1 1,3-Benzothiazinone derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-09 US disclosed
US-20060034832-A1 Cell death inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2006-02-16 US disclosed
EP-1568697-A1 1,3-BENZOTHIAZINONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-08-31 EP disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1500402-A1 CELL DEATH INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP disclosed
US-6794383-B2 Heart muscular cell apoptosis inhibitors and remedies/preventives for heart diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
US-20030186971-A1 Heart muscular cell apoptosis inhibitors and remedies/preventives for heart diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1325918-A1 HEART MUSCULAR CELL APOPTOSIS INHIBITORS AND REMEDIES/PREVENTIVES FOR HEART DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-09 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 (4 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-20030186971-A1 Heart muscular cell apoptosis inhibitors and remedies/preventives for heart diseases TNNI3, TNNT2, BAX MIF 2269/4885GABRA1 4587/4885NPC1 2461/4885
US-20060034832-A1 Cell death inhibitor MIF, TNFSF11, PDCD6IP MIF 1/4885GABRA1 4356/4885NPC1 1414/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885NPC1 1326/4885
US-20060052371-A1 1,3-Benzothiazinone derivatives, process for producing the same and use thereof MIF, FOXM1, HMGB3 MIF 1/4885GABRA1 2701/4885NPC1 3291/4885

“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.