SCHEMBL2525499

SCHEMBL2525499

OC(c1cccnc1)c1c(-c2ccccc2Cl)csc1-c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
CYP2A6 P11509 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36
CYP17A1 P05093 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTGS2 P35354 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.33
DHPS P49366 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 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
SCHEMBL2335775 0.89 TSHR (0.39) KCNA5TSHRSMN1; SMN2CYP2A6CYP3A4
SCHEMBL2340113 0.88 SMN1; SMN2 (0.47) KCNA5TSHRSMN1; SMN2L3MBTL1LMNA
SCHEMBL2339992 0.87 TSHR (0.42) KCNA5TSHRSMN1; SMN2CYP2A6CYP3A4
SCHEMBL2333985 0.86 TSHR (0.41) KCNA5TSHRSMN1; SMN2CYP2A6CYP3A4
SCHEMBL2336958 0.83 CYP2A6 (0.42) TSHRSMN1; SMN2CYP2A6CYP3A4CYP2C9
SCHEMBL2525448 0.83 TSHR (0.37) KCNA5TSHRSMN1; SMN2CYP2A6CYP3A4
SCHEMBL2518295 0.82 TSHR (0.41) TSHRSMN1; SMN2CYP2A6CYP3A4CYP2C9
SCHEMBL2335674 0.81 TSHR (0.39) KCNA5TSHRSMN1; SMN2CYP2A6CYP3A4
SCHEMBL2338651 0.80 TSHR (0.41) TSHRSMN1; SMN2CYP2A6CYP3A4CYP2C9
SCHEMBL2339240 0.79 SMN1; SMN2 (0.54) KCNA5TSHRSMN1; SMN2L3MBTL1LMNA

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 7 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

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 KCNA5 431/4885TSHR 2380/4885SMN1; SMN2 3172/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B KCNA5 3306/4885TSHR 556/4885SMN1; 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.