SCHEMBL754494

SCHEMBL754494

COC(=O)/C(O)=C/C(=O)c1oc(C(=O)N2CCOCC2)cc1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX2 P34913 1/20 0.37
RAB9A P51151 2/20 0.37
FABP6 P51161 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
POLB P06746 1/20 0.36
FKBP1A P62942 1/20 0.36

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
SCHEMBL754495 1.00 KMT2A (0.39) KMT2AALDH1A1NPC1MEN1SMN1; SMN2
SCHEMBL756755 0.81 ALDH1A1 (0.47) KMT2AALDH1A1NPC1MEN1SMN1; SMN2
SCHEMBL753145 0.80 CNR2 (0.37) KMT2AALDH1A1NPC1MEN1SMN1; SMN2
SCHEMBL753146 0.80 CNR2 (0.37) KMT2AALDH1A1NPC1MEN1SMN1; SMN2
SCHEMBL27861788 0.79 ALDH1A1 (0.46) KMT2AALDH1A1NPC1MEN1SMN1; SMN2
SCHEMBL755492 0.79 RAB9A (0.34) KMT2AALDH1A1NPC1MEN1HPGD
SCHEMBL755491 0.79 RAB9A (0.34) KMT2AALDH1A1NPC1MEN1HPGD
SCHEMBL2485045 0.77 MAPK14 (0.42) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL2485043 0.77 MAPK14 (0.42) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL754114 0.76 CA12 (0.34) KMT2AALDH1A1MEN1SMN1; SMN2HPGD

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 12 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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 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 KMT2A 667/4885ALDH1A1 424/4885NPC1 2338/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885ALDH1A1 424/4885NPC1 2338/4885

“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.