SCHEMBL2118592

SCHEMBL2118592

CCOC(=O)c1ccc2c(OCC)c(I)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.63
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.40
CDC25B P30305 1/20 0.40
GABRP O00591 5/20 0.39
GABRD O14764 5/20 0.39
GABRA1 P14867 5/20 0.39
GABRB1 P18505 5/20 0.39
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
GABRA5 P31644 5/20 0.39

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
SCHEMBL2118352 0.90 FDPS (0.77) FDPSKDM4EALDH1A1HPGDKMT2A
SCHEMBL2120918 0.89 FDPS (0.76) FDPSKDM4EALDH1A1HPGDKMT2A
Lithium SCHEMBL2120926 0.89 FDPS (0.76) FDPSKDM4EALDH1A1HPGDKMT2A
SCHEMBL2117701 0.88 FDPS (0.81) FDPSCYP1A2KDM4EALDH1A1HPGD
Lithium Ion SCHEMBL2120920 0.88 FDPS (0.63) FDPSKDM4EALDH1A1HPGDKMT2A
SCHEMBL2117118 0.81 KMT2A (0.50) FDPSCYP1A2KDM4EALDH1A1HPGD
SCHEMBL2116010 0.77 FDPS (1.00) FDPSKDM4EALDH1A1HPGDKMT2A
SCHEMBL2116635 0.77 FDPS (0.53) FDPSCYP1A2KDM4EALDH1A1HPGD
SCHEMBL2117824 0.73 ALDH1A1 (0.48) FDPSCYP1A2KDM4EALDH1A1HPGD
SCHEMBL2116560 0.71 KMT2A (0.45) FDPSCYP1A2KDM4EALDH1A1HPGD

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 FDPS 1/4885CYP1A2 364/4885KDM4E 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.