SCHEMBL13199685

SCHEMBL13199685

O=c1nc(-c2cc[n+]([O-])cc2)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.52
GABRA1 P14867 1/20 0.52
NPSR1 Q6W5P4 6/20 0.40
ALDH1A1 P00352 6/20 0.40
RXFP1 Q9HBX9 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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) MIFGABRA1NPSR1ALDH1A1RXFP1
SCHEMBL3185812 0.81 MIF (0.58) MIFGABRA1NPSR1ALDH1A1RXFP1
SCHEMBL1001394 0.80 MIF (0.60) MIFGABRA1NPSR1ALDH1A1RXFP1
SCHEMBL3183486 0.78 ALDH1A1 (0.61) MIFGABRA1NPSR1ALDH1A1RXFP1
SCHEMBL3191537 0.77 MIF (0.50) MIFGABRA1ALDH1A1NPC1RAB9A
SCHEMBL3175028 0.75 MIF (0.51) MIFGABRA1NPSR1ALDH1A1RXFP1
SCHEMBL3181413 0.75 MIF (0.51) MIFGABRA1NPSR1ALDH1A1RXFP1
SCHEMBL3174572 0.74 MIF (0.50) MIFGABRA1NPSR1ALDH1A1RXFP1
SCHEMBL1002446 0.73 RAB9A (0.63) MIFGABRA1ALDH1A1CYP1A2CYP2C9
SCHEMBL2962169 0.72 KDM4E (0.61) MIFGABRA1NPSR1ALDH1A1RXFP1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MIF 1/4885GABRA1 3323/4885NPSR1 1631/4885

“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.