SCHEMBL433328

SCHEMBL433328

NCc1cc(Br)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TDO2 P48775 1/20 0.37
SNCA P37840 1/20 0.37
HIF1A Q16665 1/20 0.37
CTSB P07858 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
VCAM1 P19320 1/20 0.35
VCP P55072 1/20 0.35
ALDH3A1 P30838 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL6870230 0.85 TDP1 (0.42) MAPTPKMATMTDP1MAPK1
SCHEMBL17466058 0.83 MAPT (0.42) MAPTPKMATMTDP1MAPK1
SCHEMBL29291503 0.83 MAPT (0.42) MAPTPKMATMTDP1MAPK1
SCHEMBL310906 0.77 ATM (0.55) MAPTPKMATMTDP1MAPK1
SCHEMBL29740055 0.77 ATM (0.55) MAPTPKMATMTDP1MAPK1
SCHEMBL20247288 0.77 ATM (0.43) MAPTPKMATMTDP1MAPK1
SCHEMBL31434883 0.77 ATM (0.43) MAPTPKMATMTDP1MAPK1
SCHEMBL1192875 0.77 ALDH1A1 (0.47) MAPTPKMATMTDP1MAPK1
SCHEMBL18531440 0.76 TDO2 (0.42) MAPTPKMATMTDP1MAPK1
SCHEMBL30886409 0.74 TDO2 (0.39) MAPTPKMATMTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-28 US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 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-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B2, HSD11B2 MAPT 2917/4885PKM 1782/4885ATM 4812/4885

“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.