SCHEMBL2517068

SCHEMBL2517068

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)coc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2331140 0.92 TSHR (0.45) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2525362 0.87 CYP19A1 (0.44) TSHRCYP3A4CYP19A1CYP17A1SMN1; SMN2
SCHEMBL2519101 0.86 CYP2A6 (0.44) TSHRCYP3A4CYP2A6CYP19A1CYP17A1
SCHEMBL2521511 0.85 TSHR (0.41) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2522889 0.85 TSHR (0.43) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2332017 0.83 TSHR (0.45) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2334999 0.83 TSHR (0.43) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2522127 0.81 TSHR (0.41) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2196714 0.81 TSHR (0.45) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2337698 0.81 TSHR (0.45) TSHRCYP3A4CYP2C9CYP2A6CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
WO-2010069880-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
WO-2007075487-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-07-05 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-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES NOX5, CYP3A5, API5 TSHR 2380/4885CYP3A4 108/4885CYP2C9 178/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B TSHR 556/4885CYP3A4 1510/4885CYP2C9 1561/4885

“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.