SCHEMBL2117639

SCHEMBL2117639

O=C(OCc1ccccc1)c1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
EGLN1 Q9GZT9 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FDPS P14324 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL19645283 0.88 MAPT (0.54) MAPTEGLN1ALDH1A1KDM4EGAA
SCHEMBL2118828 0.82 KMT2A (0.59) MAPTEGLN1ALDH1A1KDM4EGAA
SCHEMBL19645284 0.81 EGLN1 (0.67) MAPTEGLN1ALDH1A1KDM4EGAA
SCHEMBL2116282 0.80 PTGER4 (0.50) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL2117716 0.80 KDM4E (0.58) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL6080222 0.80 HDAC3 (0.59) MAPTEGLN1ALDH1A1KDM4EGAA
SCHEMBL2141728 0.79 MAPT (0.44) MAPTEGLN1ALDH1A1KDM4EGAA
SCHEMBL22946291 0.76 TDP1 (0.61) MAPTALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL13689608 0.76 PIM1 (0.59) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL8403275 0.76 MAPT (0.79) MAPTALDH1A1KDM4EGAAKMT2A

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 MAPT 4083/4885EGLN1 3073/4885ALDH1A1 1398/4885

“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.