SCHEMBL2525448

SCHEMBL2525448

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)csc1-c1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
BCHE P06276 1/20 0.36
CYP3A4 P08684 8/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHB4 P54760 1/20 0.36
CYP3A5 P20815 6/20 0.35
KCNA5 P22460 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCND3 Q9UK17 1/20 0.34
TDP2 O95551 1/20 0.34
RORC P51449 1/20 0.34
PDE10A Q9Y233 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CYP11B2 P19099 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
SCHEMBL2335775 0.90 TSHR (0.39) TSHRCYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2335674 0.90 TSHR (0.39) TSHRCYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2338349 0.90 EPHB4 (0.40) TSHRBCHECYP3A4EPHB4CYP3A5
SCHEMBL2332314 0.88 KCNA5 (0.44) TSHRBCHECYP3A4EPHB4CYP3A5
SCHEMBL2333985 0.86 TSHR (0.41) TSHRCYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2339992 0.85 TSHR (0.42) TSHRCYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2336399 0.84 EPHB4 (0.39) TSHRBCHECYP3A4EPHB4CYP3A5
SCHEMBL2333655 0.83 TSHR (0.39) TSHRCYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2522077 0.83 BCHE (0.35) TSHRBCHECYP3A4CYP2A6CYP2C9
SCHEMBL2525499 0.83 KCNA5 (0.41) TSHRCYP3A4CYP2A6CYP2C9CYP2B6

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
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

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 2380/4885BCHE 1232/4885CYP3A4 108/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B TSHR 556/4885BCHE 4433/4885CYP3A4 1510/4885

“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.