SCHEMBL3066192

SCHEMBL3066192

N#CCOc1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
ALDH1A1 P00352 1/20 0.38
KCNN4 O15554 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SCN9A Q15858 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL12749278 0.81 MAOB (0.41)
SCHEMBL8065801 0.81 ADRA1D (0.36) CA3CA6CA5ACA9CA14
SCHEMBL3256218 0.80 KCNN4 (0.48) ALOX5APFEN1ALDH1A1KCNN4FFAR1
SCHEMBL31621296 0.80 KCNN4 (0.48) ALOX5APFEN1ALDH1A1KCNN4FFAR1
SCHEMBL3730976 0.79 AR (0.40) ALOX5APFEN1GPBAR1MKNK2SCN9A
SCHEMBL6814760 0.79 PTGDR2 (0.42) ALOX5APFEN1GPBAR1SCN9A
SCHEMBL18964275 0.78 SLC6A4 (0.43) ALOX5APFEN1ALDH1A1KCNN4GPBAR1
SCHEMBL9440419 0.78 SLC6A2 (0.44) ALOX5APFEN1ALDH1A1SLC22A12
SCHEMBL24869124 0.78 ALOX5AP (0.39) ALOX5APFEN1ALDH1A1GPBAR1MKNK2
SCHEMBL15066676 0.76 ALOX5AP (0.36) ALOX5APFEN1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO 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-20090012055-A1 Organic compounds REN, ACE, ACE2 ALOX5AP 2601/4885FEN1 3486/4885ALDH1A1 142/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALOX5AP 2601/4885FEN1 3486/4885ALDH1A1 142/4885

“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.