SCHEMBL2520436

SCHEMBL2520436

OC(c1cccnc1)c1c(-c2cccs2)coc1-c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.39
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP17A1 P05093 1/20 0.33
GLA P06280 1/20 0.32
KCNA5 P22460 3/20 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
SCHEMBL2523583 0.89 TSHR (0.43) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2332017 0.88 TSHR (0.45) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2522127 0.87 TSHR (0.41) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2337698 0.85 TSHR (0.45) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2521102 0.84 TSHR (0.44) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2522132 0.84 CYP2A6 (0.39) TSHRSMN1; SMN2CYP3A4CYP2A6LMNA
SCHEMBL2520455 0.83 TSHR (0.43) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2331140 0.81 TSHR (0.45) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2520440 0.81 TSHR (0.43) TSHRSMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL2522889 0.81 TSHR (0.43) 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 8 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
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 2380/4885SMN1; SMN2 3172/4885CYP2E1 205/4885
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.