SCHEMBL3323521

SCHEMBL3323521

COC(=O)NCc1cc(/C(C)=N/O)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ HPGD P15428 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ WDR5 P61964 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.36

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
SCHEMBL3323523 1.00 TSHR (0.49) TSHRHPGDPPARGSMN1; SMN2CA9
SCHEMBL4624012 0.86 SMN1; SMN2 (0.42) TSHRHPGDPPARGSMN1; SMN2ALDH1A1
SCHEMBL4624008 0.86 SMN1; SMN2 (0.42) TSHRHPGDPPARGSMN1; SMN2ALDH1A1
SCHEMBL1758939 0.85 TSHR (0.54) TSHRHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL21901873 0.83 TSHR (0.51) TSHRHPGDPPARGSMN1; SMN2ROCK2
SCHEMBL4623289 0.82 TSHR (0.54) TSHRHPGDSMN1; SMN2CA9ALDH1A1
SCHEMBL4624575 0.82 TSHR (0.45) TSHRHPGDPPARGSMN1; SMN2ROCK2
SCHEMBL3326140 0.81 TSHR (0.42) TSHRHPGDPPARGSMN1; SMN2ROCK2
SCHEMBL3326135 0.81 TSHR (0.42) TSHRHPGDPPARGSMN1; SMN2ROCK2
SCHEMBL3324965 0.80 TSHR (0.41) TSHRHPGDPPARGSMN1; SMN2ROCK2

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 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
EP-2129225-A2 SUBSTITUTED BENZENE FUNGICIDES E. I. Du Pont de Nemours and Company (US) 2009-12-09 — — EP disclosed
WO-2008124092-A2 SUBSTITUTED BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-16 — — WO disclosed
EP-1201648-B1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-04-02 — — EP disclosed
US-6812229-B1 OXIME SUBSTITUTED PHENYL; RAIN-FAST WITHOUT CROP DAMAGE; CUCUMBER DOWNY MILDEW, APPLE SCAB, WHEAT POWDERY MILDEW, RICE BLAST, CUCUMBER GRAY MOLD, RICE SHEATH BLIGHT, WHEAT BROWN LEAF RUST, WHEAT SEPTORIA LEAF BLOTCH AND CUCUMBER STEM ROT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-11-02 — — US disclosed
EP-1201648-A1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-02 — — EP 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 4667/4885PPARG 2765/4885
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1053/4885HPGD 4667/4885PPARG 2765/4885
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1039/4885HPGD 4707/4885PPARG 2815/4885

“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.

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