SCHEMBL2961669

SCHEMBL2961669

CCN(CC)C(=O)c1ccc(C#N)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
RORC P51449 1/20 0.46
HPGD P15428 6/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MLYCD O95822 3/20 0.44
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
LRRK2 Q5S007 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AR P10275 1/20 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
SCHEMBL22583293 0.82 ALDH1A1 (0.46) GRM5HPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL2509677 0.77 MLYCD (0.42) ALDH1A1MAPTMLYCDAR
SCHEMBL5429605 0.77 GRM5 (0.54) GRM5HPGDALDH1A1MAPTLMNA
SCHEMBL998975 0.77 GRM5 (0.54) GRM5HPGDALDH1A1MAPTLMNA
SCHEMBL1584376 0.76 MAPT (0.49) GRM5HPGDALDH1A1MAPTRAB9A
SCHEMBL5312194 0.76 SMN1; SMN2 (0.55) GRM5HPGDALDH1A1MAPTLMNA
SCHEMBL991484 0.76 GRM5 (0.59) GRM5HPGDALDH1A1MAPTLMNA
SCHEMBL12844304 0.76 GRM5 (0.52) GRM5HPGDALDH1A1MAPTLMNA
SCHEMBL5420477 0.76 HPGD (0.53) GRM5HPGDALDH1A1MAPTLMNA
SCHEMBL13702356 0.75 EPHX2 (0.50) GRM5LRRK2AR

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-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
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 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 (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 GRM5 2620/4885RORC 1216/4885HPGD 1550/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 GRM5 2620/4885RORC 1216/4885HPGD 1550/4885

“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.