SCHEMBL6022786

SCHEMBL6022786

NC(Cc1c(F)cccc1Cl)=NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
BACE1 P56817 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPK8 P45983 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
ADRA2A P08913 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
MAOA P21397 1/20 0.44
ADRA1D P25100 1/20 0.44

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
SCHEMBL21729216 1.00 TAAR1 (0.53) TAAR1BACE1GAAMAPTKMT2A
SCHEMBL10263865 0.87 LMNA (0.41) TAAR1BACE1GAAMAPTMAPK8
SCHEMBL837828 0.87 ADRA2A (0.55) TAAR1BACE1GAAMAPTKMT2A
SCHEMBL837844 0.87 LMNA (0.41) TAAR1BACE1GAAMAPTMAPK8
SCHEMBL21729166 0.83 TAAR1 (0.59) TAAR1BACE1GAAMAPTKMT2A
SCHEMBL31459659 0.79 LMNA (0.42) TAAR1BACE1GAAMAPTMAPK8
Hydrochloric Acid SCHEMBL11278277 0.79 ADRA2A (0.46) TAAR1BACE1MAPTKMT2ASMN1; SMN2
SCHEMBL7962013 0.79 GAA (0.50) TAAR1BACE1GAAMAPTKMT2A
SCHEMBL20548686 0.79 BACE1 (0.63) TAAR1BACE1GAAMAPTKMT2A
SCHEMBL3935646 0.79 KMT2A (0.58) TAAR1BACE1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101900-B2 Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides RHEINHEIMER JOACHIM (DE) 2005-08-25 US disclosed
US-6881742-B1 Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2005-04-19 US disclosed
EP-1218339-B1 BENZYL AMIDOXIME DERIVATIVES, INTERMEDIATE PRODUCTS AND METHOD FOR THEIR PRODUCTION AND USE AS FUNGICIDES BASF AG (DE) 2003-10-01 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 (1 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-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides CBR3, CBR1, CYP1B1 TAAR1 1624/4885BACE1 2823/4885GAA 3650/4885

“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.