SCHEMBL1998080

SCHEMBL1998080

CCOC(=O)/C(Cl)=N/Nc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.52
GAA P10253 9/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX12 P18054 1/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8060308 1.00 KYAT1 (0.52) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL2487154 1.00 KYAT1 (0.52) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL5252880 0.87 KYAT1 (0.67) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL5252876 0.87 KYAT1 (0.67) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL31597961 0.87 KYAT1 (0.67) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL6107763 0.87 KYAT1 (0.67) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL11762275 0.86 KYAT1 (0.50) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL11762267 0.86 KYAT1 (0.50) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL25985823 0.86 KYAT1 (0.50) KYAT1GAALMNAMAPTALDH1A1
SCHEMBL16730435 0.86 KYAT1 (0.50) KYAT1GAALMNAMAPTALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US disclosed
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2379531-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY]-4H- [1,2, 4]TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL]ETHANOL AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
WO-2010071559-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY] -4H- [1,2, 4] TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL] ETHANOL ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 WO 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-20090131454-A1 New compounds 067 UGT2B7, UGT1A7, CYP3A7 KYAT1 3977/4885GAA 188/4885LMNA 4242/4885
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ADH1A, ADH5, ADH1C KYAT1 199/4885GAA 4307/4885LMNA 2814/4885

“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.