SCHEMBL2402202

SCHEMBL2402202

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 2/20 0.47
PRNP P04156 1/20 0.47
AR P10275 2/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PRKCZ Q05513 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44

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
SCHEMBL6119870 0.84 ALOX5 (0.50) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL1918070 0.83 MEN1 (0.56) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL27841636 0.83 MEN1 (0.45) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL2402438 0.82 MEN1 (0.55) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL2402733 0.82 ALOX5 (0.52) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL4790709 0.82 ALOX5 (0.48) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL3537312 0.82 MEN1 (0.52) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL4791027 0.81 KDM4E (0.47) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL4094037 0.81 PTGS2 (0.51) ALOX5MEN1KMT2AGAAPRNP
SCHEMBL12940204 0.80 PTGS2 (0.55) ALOX5MEN1KMT2AGAAPRNP

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 ALOX5 1819/4885MEN1 4851/4885KMT2A 3920/4885

“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.