SCHEMBL2336124

SCHEMBL2336124

OC(c1cccnc1)c1c(-c2cc(Cl)cc(C(F)(F)F)c2)csc1-c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.40
KCND3 Q9UK17 1/20 0.40
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 5/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2A6 P11509 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP17A1 P05093 1/20 0.34
KLRK1 P26718 1/20 0.34
MICA Q29983 1/20 0.34
RAET1L Q5VY80 1/20 0.34
ADRB1 P08588 1/20 0.33
ADRB3 P13945 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
SCHEMBL2335969 0.84 KCNA5 (0.51) KCNA5TSHRKCNH2SMN1; SMN2LMNA
SCHEMBL2338954 0.83 TSHR (0.44) KCNA5TSHRKCNH2CYP3A4SMN1; SMN2
SCHEMBL2331901 0.81 KCNA5 (0.47) KCNA5KCND3TSHRCYP3A4PDE10A
SCHEMBL2331557 0.80 KCNA5 (0.45) KCNA5KCND3TSHRKCNH2CYP3A4
SCHEMBL2334653 0.79 ANO1 (0.39) KCNA5KCND3TSHRCYP3A4PDE10A
SCHEMBL2337766 0.79 CYP19A1 (0.44) KCNA5KCND3TSHRCYP3A4PDE10A
SCHEMBL2334990 0.79 KCNA5 (0.46) KCNA5KCND3TSHRKCNH2SMN1; SMN2
SCHEMBL12207211 0.78 KCNA5 (0.38) KCNA5TSHRKCNH2CYP3A4SMN1; SMN2
SCHEMBL2334677 0.78 KCNA5 (0.38) KCNA5TSHRKCNH2CYP3A4SMN1; SMN2
SCHEMBL12207217 0.78 EPHB4 (0.53) KCNA5KCND3TSHRCYP3A4PDE10A

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
EP-2358201-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-08-24 EP claimed
US-20100273650-A1 Fungicidal Mixtures Comprising a Substituted 3-Hydroxymethylpyridine and a Further Fungicidal Compound BASF SE (DE) 2010-10-28 US claimed
WO-2010069880-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO claimed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US claimed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
EP-2358201-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-08-24 EP disclosed
EP-2230909-A2 FUNGICIDAL MIXTURES COMPRISING A SUBSTITUTED 3-HYDROXYMETHYLPYRIDINE AND A FURTHER FUNGICIDAL COMPOUND BASF SE (DE) 2010-09-29 EP disclosed
WO-2010069880-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
WO-2009063074-A2 FUNGICIDAL MIXTURES I BASF SE (DE) 2009-05-22 WO 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 (3 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 KCNA5 431/4885KCND3 2395/4885TSHR 2380/4885
US-20100273650-A1 Fungicidal Mixtures Comprising a Substituted 3-Hydroxymethylpyridine and a Further Fungicidal Compound CBR3, NOX3, CBR1 KCNA5 336/4885KCND3 552/4885TSHR 954/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B KCNA5 3306/4885KCND3 4021/4885TSHR 556/4885

“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.