SCHEMBL406405

SCHEMBL406405

CCOC(=O)c1nocc1-c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MITF O75030 2/20 0.41
TARBP2 Q15633 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSTP1 P09211 2/20 0.39
GSTM2 P28161 2/20 0.39
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL406805 0.91 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MITFTARBP2PTGS1
SCHEMBL406826 0.87 KCNMA1 (0.48) SMN1; SMN2ALDH1A1MITFTARBP2PTGS1
SCHEMBL17499989 0.84 PTGS1 (0.47) SMN1; SMN2ALDH1A1MITFPTGS1PTGS2
SCHEMBL406775 0.82 MAPT (0.43) SMN1; SMN2ALDH1A1MITFTARBP2PTGS1
SCHEMBL405091 0.80 KCNMA1 (0.46) SMN1; SMN2ALDH1A1MITFTARBP2PTGS1
SCHEMBL26922972 0.78 PTGS1 (0.46) SMN1; SMN2ALDH1A1MITFPTGS1PTGS2
SCHEMBL12246127 0.78 PPARD (0.42) SMN1; SMN2ALDH1A1MITFPTGS1PTGS2
SCHEMBL462599 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MITFPTGS1PTGS2
SCHEMBL22230646 0.77 TARBP2 (0.56) SMN1; SMN2TARBP2MAPTKMT2AMEN1
SCHEMBL6350616 0.74 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MITFMAPTKMT2A

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 7 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-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
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SMN1; SMN2 4774/4885ALDH1A1 1909/4885MITF 528/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SMN1; SMN2 4774/4885ALDH1A1 1909/4885MITF 528/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SMN1; SMN2 4774/4885ALDH1A1 1909/4885MITF 528/4885

“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.