SCHEMBL406805

SCHEMBL406805

CCOC(=O)c1nocc1-c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
GSTP1 P09211 2/20 0.41
GSTM2 P28161 2/20 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
KMT2A Q03164 2/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
CRHBP P24387 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
SCHEMBL406405 0.91 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2GSTP1GSTM2MITF
SCHEMBL406775 0.89 MAPT (0.43) ALDH1A1SMN1; SMN2GSTP1GSTM2MITF
SCHEMBL405091 0.87 KCNMA1 (0.46) ALDH1A1SMN1; SMN2GSTP1GSTM2MITF
SCHEMBL12246127 0.84 PPARD (0.42) ALDH1A1SMN1; SMN2GSTP1GSTM2MITF
SCHEMBL462599 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GSTP1GSTM2MITF
SCHEMBL17499989 0.84 PTGS1 (0.47) ALDH1A1SMN1; SMN2GSTP1GSTM2MITF
SCHEMBL406826 0.80 KCNMA1 (0.48) ALDH1A1SMN1; SMN2MITFTARBP2PTGS1
SCHEMBL26922972 0.78 PTGS1 (0.46) ALDH1A1SMN1; SMN2GSTP1GSTM2MITF
SCHEMBL22230646 0.77 TARBP2 (0.56) SMN1; SMN2TARBP2KMT2AGABRA2MAPT
SCHEMBL28237961 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MITFKMT2AGABRA1

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 6 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

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 ALDH1A1 1909/4885SMN1; SMN2 4774/4885GSTP1 4652/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885SMN1; SMN2 4774/4885GSTP1 4652/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885SMN1; SMN2 4774/4885GSTP1 4652/4885

“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.