SCHEMBL2116253

SCHEMBL2116253

CCC(C)OP(=O)(O)C=Cc1ccc2cc(NC(C)=O)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.38
DHODH Q02127 1/20 0.36
MAPT P10636 1/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NTSR1 P30989 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FDPS P14324 1/20 0.32
ESRRA P11474 1/20 0.32

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
SCHEMBL2117083 0.93 DHODH (0.34) KLK7DHODHMAPTFNTAFNTB
SCHEMBL2120069 0.88 SMN1; SMN2 (0.42) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL2116634 0.87 NPC1 (0.34) DHODHMAPTMEN1KMT2ATDP1
SCHEMBL2118470 0.86 FDPS (0.35) DHODHMEN1KMT2ANTSR1FDPS
SCHEMBL2118631 0.85 KLK7 (0.46) KLK7MAPTPOLBMEN1KMT2A
SCHEMBL2118629 0.85 KLK7 (0.46) KLK7MAPTPOLBMEN1KMT2A
SCHEMBL2115916 0.85 KDM4E (0.34) FNTAFNTBPGGT1B
SCHEMBL2116251 0.84 KLK7 (0.41) KLK7MAPTPOLBLMNAMEN1
SCHEMBL2116249 0.84 KLK7 (0.41) KLK7MAPTPOLBLMNAMEN1
SCHEMBL2117450 0.83 KMT2A (0.37) MAPTPOLBLMNAMEN1KMT2A

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
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP 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 4439/4885DHODH 26/4885MAPT 4083/4885

“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.