SCHEMBL3170407

SCHEMBL3170407

O=C(C(=O)c1ccc(F)c(Cl)c1)c1ccc(F)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.64
CES1 P23141 6/20 0.64
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SLC2A1 P11166 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
RPA1 P27694 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MDM2 Q00987 1/20 0.45

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
SCHEMBL15137054 0.90 CES2 (0.52) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL10399614 0.86 SRD5A2 (0.53) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL1437521 0.85 CES2 (0.47) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL30308290 0.84 TSHR (0.65) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL109599 0.84 TSHR (0.65) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL9693915 0.84 KCNQ3 (0.47) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL20084007 0.84 KCNQ3 (0.47) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL193605 0.84 KCNQ3 (0.51) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL38658161 0.83 MAPT (0.52) CES2CES1KCNQ3KCNQ2KCNE1
SCHEMBL38658148 0.83 MAPT (0.52) CES2CES1KCNQ3KCNQ2KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
EP-0596395-B1 Process for the preparation of fluorinated benzil CLARIANT GMBH (DE) 2000-06-28 EP disclosed
US-5463135-A Fluorinated benzils and a process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0596395-A1 Fluorinated benzils and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 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 (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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CES2 337/4885CES1 383/4885KCNQ3 202/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CES2 470/4885CES1 568/4885KCNQ3 192/4885

“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.