SCHEMBL754138

SCHEMBL754138

O=c1c(O)c(-c2ccc3ccccc3n2)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAOA P21397 3/20 0.50
NPC1 O15118 2/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
MTNR1A P48039 1/20 0.50
KMT2A Q03164 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL8783416 0.84 MAOB (0.59) MAOBMAOANPC1ACHEMEN1
SCHEMBL27491848 0.83 KDM4E (0.66) MAOBMAOANPC1ACHEMEN1
SCHEMBL20169884 0.82 CYP3A4 (0.61) MAOBMAOANPC1ACHEMEN1
SCHEMBL4164670 0.78 MAPT (0.60) MAOBMAOANPC1ACHEMEN1
SCHEMBL2488538 0.77 ABCG2 (0.48) NPC1MEN1KMT2ARAB9ACYSLTR1
SCHEMBL9350122 0.77 MAOB (0.72) MAOBMAOANPC1ACHEMEN1
SCHEMBL25022832 0.76 ABCG2 (0.73) MAOBACHEMEN1KMT2A
SCHEMBL30667382 0.76 ABCG2 (0.58) MAOBMAOANPC1ACHEMEN1
SCHEMBL4235371 0.75 CYP3A4 (0.61) MAOBMAOANPC1ACHEMEN1
SCHEMBL17523229 0.74 MAPT (0.61) MAOBMAOANPC1ACHEMEN1

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 9 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT MAOB 709/4885MAOA 592/4885NPC1 1838/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885NPC1 2338/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885MAOA 729/4885NPC1 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.