SCHEMBL2285529

SCHEMBL2285529

COc1c(Br)c[c]cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
NOTUM Q6P988 1/20 0.33
AR P10275 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2290039 0.86 AR (0.33) AR
SCHEMBL231210 0.79 CA2 (0.48) CA2CA4MAPTSMN1; SMN2
SCHEMBL3457898 0.78 HTR2A (0.35) ARLMNAMAPT
SCHEMBL2291541 0.78 AR (0.30) AR
SCHEMBL2287967 0.78 AR (0.32) AR
SCHEMBL2291636 0.77 MAPT (0.34) LMNAMAPT
SCHEMBL2291191 0.74 HTR2A (0.33) AR
SCHEMBL2285289 0.74 CA2 (0.40) CA2CA4
SCHEMBL2285350 0.74 NOTUM (0.33) NOTUM
SCHEMBL2288100 0.73 HTR2A (0.34) NOTUMAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989394-B2 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds BASF SE (DE) 2011-08-02 US disclosed
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 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 (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-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 CA2 1194/4885CA4 3404/4885NOTUM 891/4885

“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.