SCHEMBL2523809

SCHEMBL2523809

Cn1cc(-c2ccc(Cl)cc2)c(C(O)c2cccnc2)c1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CYP3A4 P08684 5/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2B6 P20813 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP17A1 P05093 1/20 0.36
GAA P10253 1/20 0.34
CYP3A5 P20815 2/20 0.34
ANO1 Q5XXA6 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL2519031 0.92 TSHR (0.44) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2523806 0.87 SMN1; SMN2 (0.43) TSHRCYP3A4SMN1; SMN2LMNAL3MBTL1
SCHEMBL2522731 0.87 TSHR (0.41) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2525456 0.86 CYP2A6 (0.41) TSHRCYP3A4CYP2A6SMN1; SMN2LMNA
SCHEMBL2520569 0.83 TSHR (0.41) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2518927 0.83 TSHR (0.41) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2521086 0.83 TSHR (0.41) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2336201 0.82 TSHR (0.44) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2338890 0.82 TSHR (0.44) TSHRCYP3A4CYP2C9CYP2A6CYP2E1
SCHEMBL2521553 0.81 SMN1; SMN2 (0.38) CYP3A4SMN1; SMN2LMNAL3MBTL1CYP19A1

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.