SCHEMBL765737

SCHEMBL765737

COC(=O)/C(O)=C/C(=O)c1cnn(Cc2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GRM2 Q14416 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KLKB1 P03952 3/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ TCF4 P15884 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL751841 1.00 LMNA (0.46) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL4674509 0.87 LMNA (0.51) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL29117303 0.80 GRM2 (0.61) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL4672907 0.79 L3MBTL1 (0.51) LMNAMAPTKLKB1HSD17B10RAB9A
SCHEMBL949903 0.77 HSD17B10 (0.61) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL4676350 0.77 KLKB1 (0.49) ALDH1A1SMN1; SMN2KLKB1HSD17B10RAB9A
SCHEMBL4677429 0.76 HSD17B10 (0.48) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL4672069 0.76 LMNA (0.43) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL752774 0.76 LMNA (0.61) LMNAMAPTALDH1A1MAPK1HTT
SCHEMBL4673827 0.76 HSD17B10 (0.47) LMNAMAPTALDH1A1KLKB1HSD17B10

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 LMNA 2945/4885MAPT 4426/4885ALDH1A1 424/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885MAPT 4426/4885ALDH1A1 424/4885

“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.

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