SCHEMBL3198753

SCHEMBL3198753

O=c1nc(-c2cccc(Br)c2)sc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.51
MIF P14174 1/20 0.51
RAB9A P51151 8/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 5/20 0.42
NFKB1 P19838 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41

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 0.82 MIF (0.61) GABRA1MIFRAB9ANPC1SMN1; SMN2
SCHEMBL3185812 0.80 MIF (0.58) GABRA1MIFRAB9ANPC1SMN1; SMN2
SCHEMBL3182015 0.79 ALDH1A1 (0.50) GABRA1MIFRAB9ANPC1SMN1; SMN2
SCHEMBL3181920 0.79 MIF (0.48) GABRA1MIFRAB9ANPC1ALDH1A1
SCHEMBL29407035 0.78 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL752798 0.78 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL2961592 0.76 MIF (0.62) GABRA1MIFRAB9ANPC1SMN1; SMN2
SCHEMBL1001394 0.75 MIF (0.60) GABRA1MIFRAB9ANPC1SMN1; SMN2
SCHEMBL3184837 0.75 RAB9A (0.48) GABRA1MIFRAB9ANPC1SMN1; SMN2
SCHEMBL3193022 0.75 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1

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-7659267-B2 1,3-Benzothiazinone derivatives, process for producing the same use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-09 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-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
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

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-20060052371-A1 1,3-Benzothiazinone derivatives, process for producing the same and use thereof MIF, FOXM1, HMGB3 GABRA1 2701/4885MIF 1/4885RAB9A 4089/4885

“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.