SCHEMBL1428071

SCHEMBL1428071

O=Cc1cc(Br)sc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.46
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1430704 0.86 ERN1 (0.37) ERN1
SCHEMBL1430408 0.79 ERN1 (0.35) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL1430410 0.79 ERN1 (0.35) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL13465061 0.77 ALDH1A1 (0.47) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL15613249 0.75 ALDH1A1 (0.35) ALDH1A1CYP3A4MAPT
SCHEMBL30487441 0.72 CYP1A2 (0.41) ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL947371 0.71 ERN1 (0.36) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL96226 0.70
SCHEMBL5309395 0.69 ERN1 (0.42) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL4442166 0.69 ERN1 (0.39) ERN1ALDH1A1PRKDC

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
US-8420695-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-16 US disclosed
US-8420695-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-16 US disclosed
US-8420695-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-16 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2010005841-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-14 WO disclosed
WO-2010005841-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-14 WO disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 ERN1 788/4885KDM4E 653/4885ALDH1A1 3244/4885

“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.