SCHEMBL16018752

SCHEMBL16018752

CC(C)c1cnc(Cc2ccc(F)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
TRPA1 O75762 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL16020925 0.79 HPGD (0.44) NPSR1NPC1SMN1; SMN2TP53RAB9A
SCHEMBL16018760 0.78 SLC6A4 (0.37) SMN1; SMN2KDM4EHTR2C
SCHEMBL16921566 0.73 NPSR1 (0.47) NPSR1NPC1SMN1; SMN2TP53RAB9A
SCHEMBL823589 0.73 NPSR1 (0.38) NPSR1NPC1SMN1; SMN2TP53RAB9A
SCHEMBL27861595 0.72 NPSR1 (0.46) NPSR1NPC1SMN1; SMN2TP53RAB9A
SCHEMBL13160616 0.72 MAPT (0.35) NPC1SMN1; SMN2TP53RAB9AHPGD
SCHEMBL13255919 0.72 MEN1 (0.40) NPSR1NPC1SMN1; SMN2TP53RAB9A
SCHEMBL13218155 0.71 TRPA1 (0.38) NPSR1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL21721699 0.71 NPC1 (0.48) NPC1SMN1; SMN2TP53RAB9AHPGD
SCHEMBL12746787 0.71 CCNB2 (0.39) CCNB2CCNE2CDK1CDK4CCNB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 NPSR1 4474/4885NPC1 3577/4885SMN1; SMN2 4086/4885

“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.