SCHEMBL2521086

SCHEMBL2521086

Cn1cc(-c2cccs2)c(C(O)c2cccnc2)c1-c1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP3A4 P08684 13/20 0.36
CYP3A5 P20815 10/20 0.36
BCHE P06276 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
KCNA5 P22460 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL2522731 0.93 TSHR (0.41) TSHRCYP3A4CYP3A5BCHESMN1; SMN2
SCHEMBL2520569 0.92 TSHR (0.41) TSHRCYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2523610 0.92 TSHR (0.41) TSHRCYP3A4SMN1; SMN2LMNAL3MBTL1
SCHEMBL2525376 0.89 TSHR (0.44) TSHRCYP3A4SMN1; SMN2LMNAL3MBTL1
SCHEMBL2516243 0.87 BCHE (0.37) TSHRCYP3A4CYP3A5BCHESMN1; SMN2
SCHEMBL2519031 0.87 TSHR (0.44) TSHRCYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2518927 0.86 TSHR (0.41) TSHRCYP3A4SMN1; SMN2LMNAL3MBTL1
SCHEMBL12207242 0.85 HSD11B1 (0.39) CYP3A4CYP3A5BCHESMN1; SMN2LMNA
SCHEMBL2517077 0.85 CYP3A4 (0.38) CYP3A4CYP3A5BCHESMN1; SMN2LMNA
SCHEMBL2336201 0.85 TSHR (0.44) TSHRCYP3A4SMN1; SMN2LMNAL3MBTL1

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-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
EP-2020851-A4 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LTD (GB) 2009-09-02 EP disclosed
EP-2020851-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES Syngenta Limited (GB) 2009-02-11 EP 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 108/4885CYP3A5 2/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B TSHR 556/4885CYP3A4 1510/4885CYP3A5 687/4885

“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.