SCHEMBL406775

SCHEMBL406775

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.42
GSTP1 P09211 2/20 0.42
GSTM2 P28161 2/20 0.42
MITF O75030 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
CTRB1 P17538 1/20 0.39

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 0.89 ALDH1A1 (0.41) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL405091 0.89 KCNMA1 (0.46) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL462599 0.86 ALDH1A1 (0.39) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL12246127 0.86 PPARD (0.42) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL17499989 0.86 PTGS1 (0.47) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL406405 0.82 SMN1; SMN2 (0.41) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL406826 0.82 KCNMA1 (0.48) MAPTALDH1A1MITFSMN1; SMN2NPC1
SCHEMBL26922972 0.80 PTGS1 (0.46) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL2573799 0.76 OPRK1 (0.43) MAPTALDH1A1GSTP1GSTM2MITF
SCHEMBL148384 0.73 MAPT (0.56) MAPTALDH1A1MITFSMN1; SMN2NPC1

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 2336/4885ALDH1A1 1909/4885GSTP1 4652/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ALDH1A1 1909/4885GSTP1 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.