SCHEMBL2118828

SCHEMBL2118828

O=C(OCc1ccccc1)c1ccc2cccc(O)c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 4/20 0.59
EGLN1 Q9GZT9 1/20 0.54
TDP1 Q9NUW8 3/20 0.54
PIM1 P11309 1/20 0.54
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL13996399 0.86 KMT2A (0.49) KMT2AKDM4EEGLN1TDP1PIM1
SCHEMBL3425983 0.86 MAPT (0.47) KMT2AKDM4EEGLN1TDP1PIM1
SCHEMBL19645283 0.84 MAPT (0.54) KMT2AKDM4EEGLN1TDP1MAPT
SCHEMBL6080222 0.84 HDAC3 (0.59) KMT2AKDM4EEGLN1MAPTALDH1A1
SCHEMBL10053113 0.83 KDM4E (0.46) KMT2AKDM4EEGLN1TDP1PIM1
SCHEMBL19645284 0.82 EGLN1 (0.67) KMT2AKDM4EEGLN1TDP1MAPT
SCHEMBL2117639 0.82 MAPT (0.49) KMT2AKDM4EEGLN1TDP1MAPT
SCHEMBL17652250 0.81 CYP1A2 (0.63) KMT2AKDM4EPIM1MAPTGAA
SCHEMBL22946291 0.80 TDP1 (0.61) KMT2ATDP1MAPTALDH1A1LMNA
SCHEMBL8403275 0.80 MAPT (0.79) KMT2AKDM4ETDP1MAPTALDH1A1

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 KMT2A 3963/4885KDM4E 2805/4885EGLN1 3073/4885

“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.