SCHEMBL2115826

SCHEMBL2115826

COC(=O)c1ccc2cccc(-c3cccc4c(CO)cccc34)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.46
FDPS P14324 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
MAPK8 P45983 4/20 0.38
MAPK9 P45984 4/20 0.38
MAPK10 P53779 4/20 0.38
KDM4E B2RXH2 1/20 0.37
PIM1 P11309 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
SCHEMBL2116608 0.87 PTGER4 (0.42) PTGER4FDPSHDAC3HDAC4HDAC1
SCHEMBL2116282 0.87 PTGER4 (0.50) PTGER4FDPSHDAC8KDM4E
SCHEMBL2116806 0.84 PTGER4 (0.45) PTGER4FDPSHDAC3HDAC4HDAC1
SCHEMBL2120585 0.84 KDM4E (0.53) FDPSKDM4EPIM1
SCHEMBL2116288 0.83 PTGER4 (0.44) PTGER4FDPSHDAC3HDAC4HDAC1
SCHEMBL9907327 0.80 PDCD1 (0.45) PTGER4KDM4E
SCHEMBL27822116 0.78 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL27822118 0.74 TDP1 (0.45) KDM4E
SCHEMBL4995737 0.73 MAPK1 (0.50) PTGER4KDM4E
SCHEMBL23714070 0.73 CYP1A2 (0.47) PTGER4KDM4EPIM1ATM

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 PTGER4 2253/4885FDPS 1/4885HDAC3 4127/4885

“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.