SCHEMBL2117329

SCHEMBL2117329

COc1cccc(-c2cc(-c3cccc4ccccc34)c3nc(P(=O)(O)O)ccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
PLAU P00749 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
HPGD P15428 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2C19 P33261 1/20 0.39
SERPINE1 P05121 1/20 0.38
HSD17B1 P14061 1/20 0.38

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
SCHEMBL2117676 0.85 HSD17B1 (0.43) CYP1A2CYP1A1CYP1B1KMT2AMEN1
SCHEMBL2118840 0.83 ERN1 (0.40) CYP1A2ALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL2118626 0.81 CYP1A2 (0.43) CYP1A2CYP1A1CYP1B1KMT2AALDH1A1
SCHEMBL2143529 0.79 MAOA (0.40) CYP1A2KMT2AMEN1POLBALDH1A1
SCHEMBL2116847 0.78 KDM4E (0.34) CYP1A2ALDH1A1HPGDGPR84CYP2C19
SCHEMBL2116835 0.77 PIM1 (0.34) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL2116012 0.77 PIM1 (0.39) CYP1A2KMT2AMEN1POLBALDH1A1
SCHEMBL2122445 0.77 ACP3 (0.39) KMT2AMEN1ALDH1A1HPGDGPR84
SCHEMBL2116297 0.76 GPR84 (0.35) KMT2AMEN1ALDH1A1GPR84HDAC8
SCHEMBL2116619 0.76 FDPS (0.36) KMT2AMEN1ALDH1A1HPGDGPR84

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 5 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
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US 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 CYP1A2 364/4885PLAU 4741/4885CYP1A1 626/4885

“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.