SCHEMBL2116288

SCHEMBL2116288

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
FDPS P14324 1/20 0.44
NQO2 P16083 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
PIM1 P11309 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
ADORA2A P29274 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL2116282 0.88 PTGER4 (0.50) PTGER4FDPSALDH1A1MAPTKDM4E
SCHEMBL2116806 0.85 PTGER4 (0.45) PTGER4FDPSALDH1A1HSD17B10MAPT
SCHEMBL4819927 0.84 ALDH1A1 (0.46) PTGER4NQO2ALDH1A1CFTRHSD17B10
SCHEMBL2119160 0.83 KDM4E (0.54) FDPSALDH1A1HSD17B10PIM1KDM4E
SCHEMBL2115826 0.83 PTGER4 (0.46) PTGER4FDPSPIM1KDM4EHDAC3
SCHEMBL2116608 0.78 PTGER4 (0.42) PTGER4FDPSALDH1A1HSD17B10KDM4E
SCHEMBL9907327 0.78 PDCD1 (0.45) PTGER4ALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL27822119 0.77 GSK3B (0.39) FDPSALDH1A1HSD17B10MAPTPIM1
SCHEMBL8676081 0.76 ALDH1A1 (0.44) PTGER4FDPSNQO2ALDH1A1CFTR
SCHEMBL3535547 0.75 ALDH1A1 (0.45) PTGER4NQO2ALDH1A1CFTRHSD17B10

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 PTGER4 2253/4885FDPS 1/4885NQO2 10/4885

“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.