SCHEMBL752479

SCHEMBL752479

CCOC(=O)C(O)=Cc1ccc(Oc2ccccc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
BCAT2 O15382 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLIN1 O60240 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
SCHEMBL752478 1.00 MEN1 (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2487938 0.89 MAPT (0.45) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL754590 0.89 MAPT (0.45) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL751448 0.81 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL751449 0.81 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL16921582 0.80 MAPT (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL753019 0.80 MAPT (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL765088 0.80 NPC1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL753939 0.80 NPC1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL755353 0.74 MEN1 (0.47) MEN1KMT2ANPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP 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
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-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 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 MEN1 4766/4885KMT2A 516/4885NPC1 1838/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885NPC1 2338/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885NPC1 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.