SCHEMBL753246

SCHEMBL753246

Cc1ccc(Oc2ccc(F)cc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSPB1 P04792 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
BCAT2 O15382 1/20 0.39
SCN4A P35499 1/20 0.38
GAA P10253 1/20 0.37
FFAR1 O14842 1/20 0.36
POLB P06746 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
SCHEMBL10134383 0.84 MEN1 (0.83) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL4797268 0.81 MEN1 (0.59) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL851116 0.81 MEN1 (0.59) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL4797272 0.81 MEN1 (0.59) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL4050755 0.80 MEN1 (0.53) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL753331 0.80 BCAT2 (0.60) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL13750597 0.79 SYK (0.46) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL20176871 0.78 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL8736571 0.78 MEN1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL31132915 0.77 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1L3MBTL1

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 15 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
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 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 (4 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 516/4885KDM4E 336/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS MEN1 4815/4885KMT2A 4092/4885KDM4E 3905/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885KDM4E 382/4885

“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.