SCHEMBL754010

SCHEMBL754010

COC(=O)c1nc(C)oc1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PLA2G2A P14555 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
RNASEH1 O60930 1/20 0.39

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
SCHEMBL2490061 0.88 POLB (0.44) NPSR1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL754062 0.85 NPSR1 (0.41) NPSR1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL764368 0.85 NPSR1 (0.41) NPSR1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL6810475 0.84 EGLN1 (0.42) NPSR1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL18531611 0.82 NPSR1 (0.40) NPSR1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL16921553 0.82 NPSR1 (0.41) NPSR1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL16921554 0.82 NPSR1 (0.39) NPSR1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL753031 0.79 CA12 (0.38) NPSR1SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL15947005 0.76 PTGS2 (0.50) NPSR1POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL11829444 0.74 CES1 (0.45) SMN1; SMN2ALDH1A1HPGDLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885POLB 107/4885SMN1; SMN2 3746/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885POLB 107/4885SMN1; SMN2 3746/4885

“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.