Sugi Predict

Sugi Predict / Compounds / SCHEMBL2401070

SCHEMBL2401070

SCHEMBL2401070

COC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.41
▸ PRNP P04156 1/20 0.41
▸ ANO1 Q5XXA6 2/20 0.40
▸ ABCB1 P08183 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL2402438 0.89 MEN1 (0.55) MEN1KMT2AL3MBTL1RCE1PRNP
SCHEMBL2294300 0.88 ATM (0.44) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL2301053 0.84 L3MBTL1 (0.40) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL2300529 0.84 CYP2C9 (0.43) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL2402444 0.82 ATM (0.46) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL14327846 0.81 ATM (0.46) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL2297507 0.81 L3MBTL1 (0.38) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL3535771 0.80 MEN1 (0.51) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL2404910 0.78 ATM (0.52) MEN1KMT2AATML3MBTL1RCE1
SCHEMBL29852823 0.78 ATM (0.52) MEN1KMT2AATML3MBTL1RCE1

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 9 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
WO-2011106986-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — WO disclosed
WO-2011106986-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 3920/4885ATM 4172/4885

“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.