SCHEMBL2335937

SCHEMBL2335937

OC(c1cccnc1)c1c(-c2ccc(F)cc2)csc1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP17A1 P05093 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RPS6KA3 P51812 1/20 0.35
POLB P06746 1/20 0.35
KCNA5 P22460 3/20 0.35
KCNH2 Q12809 2/20 0.35
MAPK14 Q16539 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2331512 0.94 ANO1 (0.38) ADRB2ADRB1ADRB3CYP17A1TSHR
SCHEMBL2335611 0.92 TSHR (0.41) ADRB2ADRB1ADRB3CYP17A1TSHR
SCHEMBL2331122 0.91 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP17A1TSHR
SCHEMBL2333655 0.91 TSHR (0.39) ADRB2ADRB1ADRB3CYP17A1TSHR
SCHEMBL2340312 0.89 CYP17A1 (0.44) CYP17A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL2334066 0.88 SMN1; SMN2 (0.40) ADRB2ADRB1ADRB3CYP17A1TSHR
SCHEMBL2338152 0.88 SMN1; SMN2 (0.40) ADRB2ADRB1ADRB3CYP17A1TSHR
SCHEMBL2335564 0.87 CYP17A1 (0.40) ADRB1ADRB3CYP17A1TSHRSMN1; SMN2
SCHEMBL2339629 0.86 TSHR (0.44) ADRB2ADRB1ADRB3CYP17A1TSHR
SCHEMBL2336399 0.85 EPHB4 (0.39) ADRB2ADRB1ADRB3CYP17A1TSHR

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 21 patents — showing the first 20. 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
EP-2230909-A2 FUNGICIDAL MIXTURES COMPRISING A SUBSTITUTED 3-HYDROXYMETHYLPYRIDINE AND A FURTHER FUNGICIDAL COMPOUND BASF SE (DE) 2010-09-29 EP claimed
WO-2010069880-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO claimed
EP-2020851-A4 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LTD (GB) 2009-09-02 EP claimed
WO-2009063074-A2 FUNGICIDAL MIXTURES I BASF SE (DE) 2009-05-22 WO claimed
EP-2020851-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES Syngenta Limited (GB) 2009-02-11 EP claimed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US claimed
WO-2007075487-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-07-05 WO claimed
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
EP-2358201-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-08-24 EP disclosed
US-20100273650-A1 Fungicidal Mixtures Comprising a Substituted 3-Hydroxymethylpyridine and a Further Fungicidal Compound BASF SE (DE) 2010-10-28 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
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
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 (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 ADRB2 1493/4885ADRB1 749/4885ADRB3 536/4885
US-20100273650-A1 Fungicidal Mixtures Comprising a Substituted 3-Hydroxymethylpyridine and a Further Fungicidal Compound CBR3, NOX3, CBR1 ADRB2 899/4885ADRB1 673/4885ADRB3 254/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B ADRB2 2086/4885ADRB1 2058/4885ADRB3 2592/4885

“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.