SCHEMBL405563

SCHEMBL405563

CC(=O)Nc1cc(C)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SLC9A1 P19634 1/20 0.50
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.49
POLB P06746 3/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE7A Q13946 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL863876 0.94 SLC9A1 (0.53) MAPTNPSR1SLC9A1KMT2AHTT
SCHEMBL28754179 0.89 MAPT (0.49) MAPTKMT2AHTTPOLBALDH1A1
SCHEMBL8513944 0.89 MAPT (0.55) MAPTNPSR1SLC9A1KMT2AHTT
SCHEMBL30707885 0.88 SLC9A1 (0.50) MAPTNPSR1SLC9A1KMT2AHTT
SCHEMBL11525234 0.88 SLC9A1 (0.50) MAPTNPSR1SLC9A1KMT2AHTT
SCHEMBL29725300 0.87 RECQL (0.57) MAPTNPSR1SLC9A1KMT2AHTT
SCHEMBL14903460 0.87 RECQL (0.57) MAPTNPSR1SLC9A1KMT2AHTT
SCHEMBL27796244 0.84 SLC9A1 (0.56) MAPTNPSR1SLC9A1KMT2AHTT
SCHEMBL5606205 0.83 MAPT (0.49) MAPTSLC9A1KMT2AHTTALDH1A1
SCHEMBL10936842 0.82 MAPT (0.55) MAPTNPSR1SLC9A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885NPSR1 86/4885SLC9A1 602/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885NPSR1 86/4885SLC9A1 602/4885

“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.