SCHEMBL5752211

SCHEMBL5752211

COc1ccc(CN(C)C/C=C/c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
RAB9A P51151 1/20 0.55
ACHE P22303 3/20 0.54
BCHE P06276 2/20 0.54
LSS P48449 1/20 0.53
TRPA1 O75762 1/20 0.53

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
SCHEMBL5752214 1.00 KCNH2 (0.62) KCNH2RAB9AACHEBCHELSS
SCHEMBL9779266 0.86 NR1I2 (0.60) KCNH2ACHEBCHELSS
SCHEMBL5754753 0.82 LSS (0.55) KCNH2ACHEBCHELSS
SCHEMBL5754749 0.82 LSS (0.55) KCNH2ACHEBCHELSS
SCHEMBL13435489 0.80 MEN1 (0.70) KCNH2RAB9ABCHETRPA1
SCHEMBL16039094 0.79 ACHE (0.76) ACHEBCHE
SCHEMBL20871186 0.79 TRPA1 (0.56) RAB9ATRPA1
SCHEMBL19249418 0.79 KCNH2 (0.95) KCNH2
SCHEMBL15105021 0.78 TRPA1 (0.63) RAB9ATRPA1
SCHEMBL3869325 0.78 TRPA1 (0.63) RAB9ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387841-B1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE THEREOF AS FUNGICIDES AVENTIS PHARMA SA (FR) 2006-03-08 EP disclosed
US-6960600-B2 Azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments AVENTIS PHARMA S.A. (FR) 2005-11-01 US disclosed
US-6946460-B2 Azole or triazole derivatives, method for preparing same and use thereof as fungicides AVENTIS PHARMA S.A. (FR) 2005-09-20 US disclosed
EP-1387837-B1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS ANTIFUNGAL MEDICINES AVENTIS PHARMA SA (FR) 2005-07-27 EP disclosed
US-20050043540-A1 Novel azole or triazole derivatives, method for preparing same and use thereof as fungicides AVENTIS PHARMA S. A, (FR) 2005-02-24 US disclosed
US-20040192922-A1 Novel azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments AVENTIS PHARMA S.A. (FR) 2004-09-30 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-20050043540-A1 Novel azole or triazole derivatives, method for preparing same and use thereof as fungicides CYP1A2, CYP1B1, CYP21A2 KCNH2 1556/4885RAB9A 2138/4885ACHE 2352/4885
US-20040192922-A1 Novel azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments ERG28, CYP51A1, CYP3A7 KCNH2 3337/4885RAB9A 2678/4885ACHE 4796/4885

“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.