SCHEMBL3323353

SCHEMBL3323353

COC(=O)NCc1cc(C(C)=NOCC(C)[Si](C)(C)C)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
WDR5 P61964 2/20 0.35
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 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
SCHEMBL3323352 1.00 TSHR (0.39) TSHRWDR5ROCK2ROCK1PPARG
SCHEMBL14110684 0.92 PPARG (0.36) WDR5PPARGPPARASMN1; SMN2NPC1
SCHEMBL14110687 0.92 PPARG (0.36) WDR5PPARGPPARASMN1; SMN2NPC1
SCHEMBL3326135 0.84 TSHR (0.42) TSHRWDR5ROCK2ROCK1PPARG
SCHEMBL3326140 0.84 TSHR (0.42) TSHRWDR5ROCK2ROCK1PPARG
SCHEMBL3324966 0.84 TSHR (0.41) TSHRWDR5ROCK2ROCK1PPARG
SCHEMBL3324965 0.84 TSHR (0.41) TSHRWDR5ROCK2ROCK1PPARG
SCHEMBL3322588 0.82 TSHR (0.40) TSHRWDR5ROCK2ROCK1PPARG
SCHEMBL3322589 0.82 TSHR (0.40) TSHRWDR5ROCK2ROCK1PPARG
SCHEMBL3323523 0.78 TSHR (0.49) TSHRWDR5ROCK2ROCK1PPARG

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9743667-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-08-29 US claimed
US-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2015-11-26 US claimed
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2014-10-30 US claimed
EP-2129225-B1 SUBSTITUTED BENZENE FUNGICIDES DU PONT (US) 2012-12-05 EP claimed
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-13 US claimed
US-9743667-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-08-29 US disclosed
US-9198433-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-12-01 US disclosed
US-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2015-11-26 US disclosed
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2014-10-30 US disclosed
US-8822521-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (DE) 2014-09-02 US disclosed
EP-2129225-B1 SUBSTITUTED BENZENE FUNGICIDES DU PONT (US) 2012-12-05 EP disclosed
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-13 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-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1053/4885WDR5 1471/4885ROCK2 3310/4885
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1053/4885WDR5 1471/4885ROCK2 3310/4885
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1039/4885WDR5 1427/4885ROCK2 3214/4885

“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.