SCHEMBL2118764

SCHEMBL2118764

O=C(O)c1ccc2cc(-c3cccs3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
PIM1 P11309 2/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.39
PLAUR Q03405 2/20 0.39
LDHA P00338 1/20 0.39
PIK3CA P42336 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PSMB5 P28074 1/20 0.38
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
DHODH Q02127 1/20 0.37
PTPN1 P18031 1/20 0.36
PIM3 Q86V86 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL2119059 0.99 FDPS (0.45) FDPSPIM1KDM4EKMT2APLAUR
Lithium SCHEMBL2119069 0.99 FDPS (0.45) FDPSPIM1KDM4EKMT2APLAUR
Lithium Ion SCHEMBL2119062 0.89 PIM1 (0.39) FDPSPIM1KDM4EKMT2APLAUR
SCHEMBL2116560 0.85 KMT2A (0.45) FDPSKDM4EKMT2AALDH1A1PSMB5
SCHEMBL2117696 0.82 FDPS (0.46) FDPSKDM4EKMT2ALDHAPIK3CA
SCHEMBL2116012 0.81 PIM1 (0.39) PIM1KDM4EKMT2APLAURMEN1
SCHEMBL3399048 0.79 PIM1 (0.41) PIM1KDM4EALDH1A1LMNAHTT
SCHEMBL2116537 0.79 PIM1 (0.50) PIM1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL2117680 0.78 FDPS (0.46) FDPSPIM1KDM4EKMT2ALDHA
SCHEMBL2117716 0.78 KDM4E (0.58) FDPSKDM4EKMT2AMEN1ALDH1A1

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 2 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
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 FDPS 1/4885PIM1 2265/4885KDM4E 2805/4885

“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.