SCHEMBL2334718

SCHEMBL2334718

OC(c1cccnc1)c1c(-c2cccs2)csc1-c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
RAB9A P51151 4/20 0.41
GLA P06280 2/20 0.41
GAA P10253 3/20 0.39
CYP17A1 P05093 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2339966 0.89 TSHR (0.46) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2335129 0.87 TSHR (0.47) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2334994 0.87 TSHR (0.47) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2333695 0.87 TSHR (0.47) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2337083 0.87 TSHR (0.47) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2334491 0.85 TSHR (0.44) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2338446 0.85 TSHR (0.44) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2339629 0.85 TSHR (0.44) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2334621 0.78 TSHR (0.44) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2334625 0.77 TSHR (0.44) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6

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 20 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
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
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
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 (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 TSHR 2380/4885SMN1; SMN2 3172/4885CYP2E1 205/4885
US-20100273650-A1 Fungicidal Mixtures Comprising a Substituted 3-Hydroxymethylpyridine and a Further Fungicidal Compound CBR3, NOX3, CBR1 TSHR 954/4885SMN1; SMN2 2748/4885CYP2E1 24/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B TSHR 556/4885SMN1; SMN2 4879/4885CYP2E1 1828/4885

“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.