SCHEMBL2179103

SCHEMBL2179103

O=[N+]([O-])c1cccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.66
LMNA P02545 3/20 0.59
TSHR P16473 3/20 0.59
MGAM O43451 1/20 0.55
GAA P10253 1/20 0.55
SI P14410 1/20 0.55
PKM P14618 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
PGR P06401 1/20 0.53
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
PSMB8 P28062 1/20 0.50
ACKR3 P25106 1/20 0.50
NPC1 O15118 1/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL11523469 0.96 APP (0.61) APPLMNATSHRMGAMGAA
SCHEMBL11524099 0.90 APP (0.59) APPLMNATSHRMGAMGAA
SCHEMBL20557297 0.88 PKM (0.52) APPLMNATSHRMGAMGAA
SCHEMBL6792255 0.88 ALDH1A1 (0.51) APPLMNATSHRMGAMGAA
SCHEMBL30469302 0.88 PKM (0.52) APPLMNATSHRMGAMGAA
SCHEMBL8721286 0.88 APP (0.51) APPLMNATSHRMGAMGAA
SCHEMBL11149810 0.84 TSHR (0.51) APPLMNATSHRMGAMGAA
SCHEMBL6264400 0.84 HPGDS (0.61) APPLMNATSHRMAPTSMN1; SMN2
SCHEMBL11522136 0.84 APP (0.47) APPMGAMGAASIPKM
SCHEMBL6738366 0.83 TSHR (0.76) LMNATSHRMGAMGAASI

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
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 APP 4533/4885LMNA 4285/4885TSHR 4457/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 APP 4533/4885LMNA 4285/4885TSHR 4457/4885

“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.