SCHEMBL2402345

SCHEMBL2402345

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(I)c(-c3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
GAA P10253 1/20 0.60
PRNP P04156 1/20 0.60
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGS2 P35354 3/20 0.57
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 3/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TP53 P04637 2/20 0.52
ALOX5 P09917 2/20 0.51
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL2400434 0.89 MEN1 (0.59) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL2402342 0.88 ALOX5 (0.67) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL12318299 0.85 MEN1 (0.55) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL2402436 0.85 MEN1 (0.55) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL2403491 0.84 MAPT (0.55) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL2402762 0.83 MEN1 (0.55) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL12318467 0.82 KDM4E (0.54) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL12319496 0.81 MEN1 (0.51) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL12318474 0.81 KDM4E (0.54) MEN1KMT2AGAAPRNPKDM4E
SCHEMBL12318301 0.81 ALOX5 (0.58) MEN1KMT2AGAAPRNPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542545-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 US disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 US disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011106929-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO 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 (1 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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT MEN1 4851/4885KMT2A 3920/4885GAA 744/4885

“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.