SCHEMBL2118872

SCHEMBL2118872

CCOP(=O)(OCC)c1ccc2cc(-c3cc4ccccc4[nH]3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 5/20 0.36
GLA P06280 4/20 0.36
GAA P10253 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
FDPS P14324 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
Tert-Butyl Formate SCHEMBL27801392 0.93 KDM4E (0.33) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL2116713 0.86 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL2120112 0.84 NPC1 (0.38) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL2118877 0.82 ITK (0.33) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL2117641 0.82 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL27801403 0.81 PIM1 (0.41) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL2116385 0.81 FDPS (0.38) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL2143565 0.81 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL27801389 0.80 FDPS (0.36) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL2116910 0.80 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDGLA

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 1 patent. 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

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 KDM4E 2805/4885ALDH1A1 1398/4885MAPT 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.