SCHEMBL2332017

SCHEMBL2332017

OC(c1cccnc1)c1c(-c2cccs2)coc1-c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KCNA5 P22460 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 6/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2E1 P05181 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
GAA P10253 1/20 0.35
HPGD P15428 3/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2522889 0.89 TSHR (0.43) TSHRKCNA5SMN1; SMN2RAB9AALDH1A1
SCHEMBL2520436 0.88 TSHR (0.45) TSHRKCNA5SMN1; SMN2RAB9AALDH1A1
SCHEMBL2522853 0.85 CYP2A6 (0.40) TSHRKCNA5SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2331140 0.85 TSHR (0.45) TSHRSMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL2517068 0.83 TSHR (0.45) TSHRSMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL2522127 0.83 TSHR (0.41) TSHRKCNA5SMN1; SMN2RAB9AL3MBTL1
SCHEMBL2334999 0.83 TSHR (0.43) TSHRKCNA5SMN1; SMN2RAB9AALDH1A1
SCHEMBL2337698 0.81 TSHR (0.45) TSHRSMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL2523583 0.81 TSHR (0.43) TSHRKCNA5SMN1; SMN2RAB9AALDH1A1
SCHEMBL2521102 0.80 TSHR (0.44) TSHRSMN1; SMN2RAB9AALDH1A1L3MBTL1

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 9 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
EP-2358201-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-08-24 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
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 2380/4885KCNA5 431/4885SMN1; SMN2 3172/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B TSHR 556/4885KCNA5 3306/4885SMN1; SMN2 4879/4885

“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.