SCHEMBL3324966

SCHEMBL3324966

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
WDR5 P61964 2/20 0.35
PPARG P37231 5/20 0.34
PPARA Q07869 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3324965 1.00 TSHR (0.41) TSHRHPGDROCK2ROCK1SMN1; SMN2
SCHEMBL14110526 0.91 PPARG (0.38) HPGDSMN1; SMN2PPARGPPARANPC1
SCHEMBL14110527 0.91 PPARG (0.38) HPGDSMN1; SMN2PPARGPPARANPC1
SCHEMBL3326135 0.90 TSHR (0.42) TSHRHPGDROCK2ROCK1SMN1; SMN2
SCHEMBL3326140 0.90 TSHR (0.42) TSHRHPGDROCK2ROCK1SMN1; SMN2
SCHEMBL3322589 0.84 TSHR (0.40) TSHRHPGDROCK2ROCK1SMN1; SMN2
SCHEMBL3322588 0.84 TSHR (0.40) TSHRHPGDROCK2ROCK1SMN1; SMN2
SCHEMBL3323352 0.84 TSHR (0.39) TSHRHPGDROCK2ROCK1SMN1; SMN2
SCHEMBL3323353 0.84 TSHR (0.39) TSHRHPGDROCK2ROCK1SMN1; SMN2
SCHEMBL14110530 0.81 NPC1 (0.35) HPGDSMN1; SMN2PPARGPPARANPC1

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 1053/4885HPGD 4667/4885ROCK2 3310/4885
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1053/4885HPGD 4667/4885ROCK2 3310/4885
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1039/4885HPGD 4707/4885ROCK2 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.