SCHEMBL2118629

SCHEMBL2118629

CC(=O)Nc1cc(-c2cccc3ccccc23)c2nc(/C=C/P(=O)(O)O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.46
MAPT P10636 4/20 0.40
ALOX15 P16050 2/20 0.39
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ESRRA P11474 1/20 0.35
CHAT P28329 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOA P21397 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CMA1 P23946 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2118631 1.00 KLK7 (0.46) KLK7MAPTALOX15POLBMTNR1A
SCHEMBL2118373 0.90 KLK7 (0.37) KLK7MAPTMTNR1AMTNR1BKMT2A
SCHEMBL2118376 0.90 KLK7 (0.37) KLK7MAPTMTNR1AMTNR1BKMT2A
SCHEMBL2116249 0.87 KLK7 (0.41) KLK7MAPTALOX15POLBESRRA
SCHEMBL2116251 0.87 KLK7 (0.41) KLK7MAPTALOX15POLBESRRA
SCHEMBL2118426 0.85 CMA1 (0.37) KLK7CMA1
SCHEMBL2118404 0.85 CMA1 (0.37) KLK7CMA1
SCHEMBL2120505 0.85 KEAP1 (0.36) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2120508 0.85 KEAP1 (0.36) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2116253 0.85 KLK7 (0.38) KLK7MAPTPOLBESRRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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 (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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 KLK7 4439/4885MAPT 4083/4885ALOX15 1414/4885

“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.