SCHEMBL2291601

SCHEMBL2291601

COc1c[c]cc(Br)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
PRKDC P78527 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL2287605 0.84 CA12 (0.35) MAPT
SCHEMBL2285003 0.77 MAPT (0.39) POLBL3MBTL1MAPTNPSR1ALOX5
SCHEMBL2288733 0.77 TUBB1 (0.33) L3MBTL1
SCHEMBL2290810 0.76 TUBB1 (0.31)
SCHEMBL2285273 0.76 L3MBTL1 (0.35) POLBL3MBTL1MAPTNPSR1ALOX5
SCHEMBL943918 0.76 CA2 (0.41) POLBL3MBTL1MAPTNPSR1ALOX5
SCHEMBL4032984 0.75
SCHEMBL2285493 0.74 MAPT (0.32) POLBL3MBTL1MAPTNPSR1
SCHEMBL1298973 0.74 ALOX5 (0.50) POLBL3MBTL1MAPTNPSR1ALOX5
SCHEMBL2286239 0.74 POLB (0.34) POLBL3MBTL1MAPTNPSR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929683-A Pyridine derivatives as calcium-activated chloride channel modulators 跨膜蛋白16A有限公司 2022-08-19 CN disclosed
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 POLB 4882/4885L3MBTL1 1463/4885MAPT 4268/4885

“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.