SCHEMBL753035

SCHEMBL753035

O=c1c(O)c(-c2nnc(Cc3ccc(F)cc3)o2)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 4/20 0.50
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
CYP3A4 P08684 6/20 0.47
KDM4E B2RXH2 6/20 0.47
TP53 P04637 5/20 0.47
MAPK1 P28482 4/20 0.47
ALOX15 P16050 3/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ABCB1 P08183 1/20 0.47
CALM1 P0DP23 1/20 0.47
AR P10275 1/20 0.47
PKM P14618 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CA9 Q16790 1/20 0.47
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL752080 0.81 ABCG2 (0.43) KMT2AKDM4ETP53ABCB1HPGD
SCHEMBL16925413 0.79 KCNA3 (0.44) NMUR2KMT2AKDM4ETP53LMNA
SCHEMBL13255450 0.79 RAB9A (0.48) KDM4ETP53HPGDSMN1; SMN2RAB9A
SCHEMBL752165 0.79 RAB9A (0.46) MEN1KMT2AKDM4ETP53HPGD
SCHEMBL754675 0.76 CYP2C19 (0.47) MEN1KMT2AKDM4ETP53HPGD
SCHEMBL30807193 0.75 CYP3A4 (0.77) NMUR2MEN1KMT2ACYP3A4KDM4E
SCHEMBL754226 0.70 NMUR2 (0.47) NMUR2MEN1KMT2ACYP3A4KDM4E
SCHEMBL825685 0.70 NR1I3 (0.46) MEN1KMT2ACYP3A4KDM4ETP53
SCHEMBL755830 0.69 MAPT (0.43) NMUR2MEN1KMT2ACYP3A4KDM4E
SCHEMBL13351798 0.68 NMUR2 (0.41) NMUR2MEN1KMT2ACYP3A4KDM4E

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 18 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-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
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
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-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 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 NMUR2 4782/4885MEN1 4766/4885KMT2A 516/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NMUR2 4714/4885MEN1 4775/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NMUR2 4714/4885MEN1 4775/4885KMT2A 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.