SCHEMBL754098

SCHEMBL754098

COC(=O)C(=[N+]=[N-])C(=O)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
ERBB2 P04626 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL21176846 0.85 KMT2A (0.46) EGFRERBB2KMT2AMEN1GAA
SCHEMBL754363 0.85 PLAAT3 (0.45) EGFRERBB2GAATDP1LMNA
SCHEMBL7639962 0.82 EGFR (0.50) EGFRERBB2KMT2AMEN1MAPK1
SCHEMBL13351790 0.76 EGFR (0.46) EGFRERBB2KMT2AMEN1MAPK1
SCHEMBL22684781 0.73 MEN1 (0.44) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL603711 0.72 HTT (0.45) EGFRKMT2AMEN1GAATDP1
SCHEMBL8652955 0.72 KMT2A (0.48) EGFRERBB2KMT2AMEN1MAPK1
SCHEMBL10732366 0.72 HTT (0.48) TDP1SMN1; SMN2LMNAHTTKDM4E
SCHEMBL17070607 0.71 CYP4F2 (0.63) KMT2AMEN1MAPK1GAATDP1
SCHEMBL378218 0.71 CYP4F2 (0.63) KMT2AMEN1MAPK1GAATDP1

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 7 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-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
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 EGFR 3455/4885ERBB2 4023/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI EGFR 3455/4885ERBB2 4023/4885KMT2A 667/4885

“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.