SCHEMBL2116268

SCHEMBL2116268

CCOP(=O)(CNc1ccc2cc(-c3cccnc3)cc(-c3cccc4ccccc34)c2n1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
CYP11B1 P15538 3/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP17A1 P05093 1/20 0.34
GRM5 P41594 1/20 0.34
CYP2C9 P11712 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL2117440 0.86 PDE10A (0.41) PDE10ACYP11B1CYP19A1CYP11B2KDM4E
SCHEMBL2116272 0.83 PDE10A (0.37) PDE10ACYP11B1CYP19A1CYP11B2USP1
SCHEMBL2116374 0.83 KDM4E (0.43) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2116893 0.82 FDPS (0.41) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2116764 0.82 KDM4E (0.38) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2118417 0.81 KDM4E (0.33) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2116328 0.79 KDM4E (0.37) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL13689514 0.72 CYP11B1 (0.47) CYP11B1CYP19A1CYP11B2KDM4EHPGD
SCHEMBL2116613 0.70 ACP3 (0.30) HDAC6
SCHEMBL2116385 0.69 FDPS (0.38) KDM4EHPGDALDH1A1MAPTSMN1; SMN2

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 PDE10A 2109/4885CYP11B1 728/4885CYP19A1 690/4885

“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.