SCHEMBL2959627

SCHEMBL2959627

Cc1ccc(Sc2ccc(C#N)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP2A6 P11509 1/20 0.48
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MCL1 Q07820 1/20 0.37
GRM5 P41594 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL3041364 0.85 MAOA (0.65) ALDH1A1MAOAMAOBHAO1KDM4E
SCHEMBL18795836 0.83 MAOA (0.58) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL8622591 0.82 ALDH1A1 (0.44) ALDH1A1CYP2A6MAOAMAOBKDM4E
SCHEMBL14378075 0.78 CYP2A6 (0.73) ALDH1A1CYP2A6MAOAMAOBKDM4E
SCHEMBL2141844 0.77 MAOA (0.49) MAOAMAOB
SCHEMBL1145180 0.74 KDM4E (0.46) ALDH1A1CYP2A6KDM4EL3MBTL1LMNA
SCHEMBL8737320 0.72 SMN1; SMN2 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2HAO1
SCHEMBL8737436 0.72 L3MBTL1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2HAO1
SCHEMBL25772542 0.71 KDM4E (0.42) ALDH1A1CYP2A6MAOAMAOBKDM4E
SCHEMBL1145179 0.71 KDM4E (0.42) ALDH1A1CYP2A6MAOAMAOBKDM4E

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 ALDH1A1 273/4885CYP2A6 1808/4885MAOA 4539/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885CYP2A6 1808/4885MAOA 4539/4885

“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.