SCHEMBL2116847

SCHEMBL2116847

O=P(O)(O)c1ccc2cc(-c3ccc(O)nc3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
MAPT P10636 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PIM1 P11309 2/20 0.32
ERN1 O75460 1/20 0.32
PARP1 P09874 1/20 0.31
BMPR1B O00238 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
SLC6A9 P48067 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FDPS P14324 1/20 0.31
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL2118840 0.86 ERN1 (0.40) KDM4EMAPTHDAC6ERN1PARP1
SCHEMBL2117676 0.84 HSD17B1 (0.43) KDM4EMCL1ACMSDMAPTSLC6A9
SCHEMBL2117329 0.78 CYP1A2 (0.40) MAPTHDAC8GPR84ALDH1A1TP53
SCHEMBL2116012 0.77 PIM1 (0.39) KDM4ECA12CA9MAPTCA1
SCHEMBL2116835 0.77 PIM1 (0.34) KDM4EMCL1ACMSDMAPTHDAC8
SCHEMBL2122445 0.77 ACP3 (0.39) KDM4ECA12MAPTCA2HDAC8
SCHEMBL2116619 0.77 FDPS (0.36) MAPTHDAC8HDAC6PIM1GPR84
SCHEMBL2116297 0.77 GPR84 (0.35) KDM4EMCL1ACMSDCA12MAPT
SCHEMBL2143529 0.77 MAOA (0.40) KDM4ECA12CA9MAPTCA1
SCHEMBL2120112 0.77 NPC1 (0.38) KDM4ECA12CA9MAPTCA1

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 4 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
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN 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 2805/4885MCL1 1336/4885ACMSD 4638/4885

“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.