SCHEMBL1412583

SCHEMBL1412583

CCOC(=O)c1c(C2CC2)nnn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CYP19A1 P11511 2/20 0.38
FDFT1 P37268 1/20 0.37
DHODH Q02127 2/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL31247772 0.83 ALDH1A1 (0.48) TSHRALDH1A1GAAHTTHSD17B10
SCHEMBL20817410 0.78 PDE4B (0.43) TSHRALDH1A1GAAKMT2AMAPT
SCHEMBL680016 0.78 TSHR (0.40) TSHRALDH1A1GAAHTTHSD17B10
SCHEMBL9881658 0.77 KMT2A (0.46) TSHRALDH1A1GAAHSD17B10KMT2A
SCHEMBL2362313 0.77 TSHR (0.40) TSHRALDH1A1GAAHTTHSD17B10
SCHEMBL1412525 0.76 KMT2A (0.46) TSHRALDH1A1KMT2AMAPTCYP19A1
SCHEMBL14511339 0.76 TSHR (0.49) TSHRALDH1A1GAAKMT2AMAPT
SCHEMBL23122279 0.75 TSHR (0.39) TSHRALDH1A1GAAHTTHSD17B10
SCHEMBL23122052 0.74 LMNA (0.44) TSHRALDH1A1GAAHTTHSD17B10
SCHEMBL15897063 0.74 KMT2A (0.44) TSHRALDH1A1GAAHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 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 (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-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 TSHR 752/4885ALDH1A1 328/4885GAA 1515/4885

“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.