SCHEMBL1002446

SCHEMBL1002446

O=c1nc(-c2cccnc2)sc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
MIF P14174 1/20 0.56
GABRA1 P14867 1/20 0.56
ALOX5 P09917 1/20 0.49
CYP19A1 P11511 4/20 0.46
AXL P30530 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
F2 P00734 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 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 0.84 MIF (0.61) RAB9ANPC1MIFGABRA1CYP1A2
SCHEMBL1001394 0.83 MIF (0.60) RAB9ANPC1MIFGABRA1CYP1A2
SCHEMBL3185812 0.81 MIF (0.58) RAB9ANPC1MIFGABRA1CYP1A2
SCHEMBL2958852 0.78 MIF (0.71) RAB9ANPC1MIFGABRA1CYP3A4
SCHEMBL30863871 0.78 RAB9A (1.00) RAB9ANPC1ALOX5CYP19A1AXL
SCHEMBL221183 0.78 RAB9A (1.00) RAB9ANPC1ALOX5CYP19A1AXL
SCHEMBL3183486 0.75 ALDH1A1 (0.61) RAB9ANPC1MIFGABRA1CYP1A2
SCHEMBL3198753 0.75 GABRA1 (0.51) RAB9ANPC1MIFGABRA1CYP19A1
SCHEMBL2961592 0.74 MIF (0.62) RAB9ANPC1MIFGABRA1MKNK1
SCHEMBL2962468 0.74 MIF (0.51) RAB9ANPC1MIFGABRA1CYP1A2

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-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-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-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
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
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 (3 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 RAB9A 3969/4885NPC1 2461/4885MIF 2269/4885
US-20060034832-A1 Cell death inhibitor MIF, TNFSF11, PDCD6IP RAB9A 3814/4885NPC1 1414/4885MIF 1/4885
US-20060052371-A1 1,3-Benzothiazinone derivatives, process for producing the same and use thereof MIF, FOXM1, HMGB3 RAB9A 4089/4885NPC1 3291/4885MIF 1/4885

“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.