SCHEMBL3182015

SCHEMBL3182015

O=c1nc(-c2cccc(C(F)(F)F)c2)sc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MIF P14174 1/20 0.48
GABRA1 P14867 1/20 0.48
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
MAOB P27338 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
PMM2 O15305 1/20 0.44
MPI P34949 1/20 0.44
PHOSPHO1 Q8TCT1 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SLC9A1 P19634 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL3175028 0.85 MIF (0.51) ALDH1A1SMN1; SMN2MIFGABRA1MAOB
SCHEMBL27644919 0.80 RAB9A (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13186559 0.79 MIF (0.61) ALDH1A1SMN1; SMN2MIFGABRA1MEN1
SCHEMBL3198753 0.79 GABRA1 (0.51) ALDH1A1SMN1; SMN2MIFGABRA1MAOB
SCHEMBL3185812 0.76 MIF (0.58) ALDH1A1SMN1; SMN2MIFGABRA1MEN1
SCHEMBL3181920 0.76 MIF (0.48) ALDH1A1MIFGABRA1ALPLALPI
SCHEMBL2963231 0.75 MIF (0.60) ALDH1A1SMN1; SMN2MIFGABRA1MAOB
SCHEMBL3186611 0.73 MIF (0.51) ALDH1A1SMN1; SMN2MIFGABRA1MAOB
SCHEMBL5591820 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALPLALPIMEN1
SCHEMBL2961592 0.73 MIF (0.62) ALDH1A1SMN1; SMN2MIFGABRA1MEN1

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 8 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 claimed
US-20060052371-A1 1,3-Benzothiazinone derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-09 US claimed
EP-1568697-A1 1,3-BENZOTHIAZINONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-08-31 EP claimed
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 ALDH1A1 661/4885SMN1; SMN2 3352/4885MIF 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.