SCHEMBL2019613

SCHEMBL2019613

CC(N)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
PDK1 Q15118 1/20 0.41
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CTSB P07858 1/20 0.36
ERN1 O75460 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2015830 0.86 S100A4 (0.40) S100A4TRPV1PDK1LMNACYP3A4
SCHEMBL2318709 0.86 PDK1 (0.54) S100A4TRPV1PDK1LMNAPKM
SCHEMBL27839175 0.83 PDK1 (0.44) S100A4TRPV1PDK1LMNAPKM
SCHEMBL5497079 0.81 TDP1 (0.56) MAPK1CYP3A4TSHRALDH1A1CYP1A2
SCHEMBL17361847 0.80 PDK1 (0.42) S100A4TRPV1PDK1LMNAPKM
SCHEMBL5997462 0.79 LMNA (0.55) PDK1LMNAMAPK1TSHRALDH1A1
SCHEMBL5997466 0.79 LMNA (0.55) PDK1LMNAMAPK1TSHRALDH1A1
SCHEMBL888171 0.79 PDK1 (0.41) PDK1LMNACYP3A4TSHRALDH1A1
SCHEMBL5997474 0.79 LMNA (0.55) PDK1LMNAMAPK1TSHRALDH1A1
SCHEMBL1613117 0.79 PDK1 (0.44) S100A4TRPV1PDK1LMNAPKM

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
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 S100A4 900/4885TRPV1 4142/4885PDK1 2918/4885

“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.