SCHEMBL2950229

SCHEMBL2950229

N#Cc1ccncc1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
CASP1 P29466 1/20 0.47
PIM1 P11309 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
MAPT P10636 3/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL16295285 0.87 CYP2E1 (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL29669280 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8799027 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL19955350 0.74 PDE3B (0.50) CYP2A6KDM4EHPGDHTTCYP11B1
SCHEMBL3089783 0.74 ADORA2A (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL1028588 0.74 MAPT (0.45) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL1810437 0.74 CYP17A1 (0.57) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL7215513 0.72 ATR (0.50) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL29487253 0.70 CYP11B2 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9KDM4E
SCHEMBL19955349 0.70 CYP11B2 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9KDM4E

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 4 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
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 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 (2 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 CYP2E1 308/4885CYP3A4 1744/4885CYP2A6 1808/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 CYP2E1 308/4885CYP3A4 1744/4885CYP2A6 1808/4885

“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.