SCHEMBL12633802

SCHEMBL12633802

O=[N+]([O-])c1ccc(Cc2ccc(CO)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SNCA P37840 2/20 0.45
CASP6 P55212 1/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 2/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
TTR P02766 1/20 0.40
GPR35 Q9HC97 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRA P10827 1/20 0.36

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
SCHEMBL515466 0.89 MAPT (0.54) MAPTALDH1A1SNCACASP6TSHR
SCHEMBL27986576 0.84 HTR1A (0.50) MAPTALDH1A1SNCACASP6TSHR
SCHEMBL1874991 0.78 ALDH1A1 (0.50) MAPTALDH1A1SNCACASP6TSHR
SCHEMBL28818830 0.78 CYP3A4 (0.44) MAPTALDH1A1SNCATSHRCYP3A4
SCHEMBL27918314 0.78 ALDH1A1 (0.50) MAPTALDH1A1TSHRCYP3A4SMN1; SMN2
Methoxymethane SCHEMBL27521593 0.78 HTR1A (0.46) MAPTALDH1A1CASP6TSHRCYP3A4
SCHEMBL10608137 0.78 TSHR (0.58) MAPTALDH1A1SNCACASP6TSHR
SCHEMBL17154335 0.77 POLB (0.63) MAPTALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL2135817 0.77 ALDH1A1 (0.45) MAPTALDH1A1SNCATSHRCYP3A4
SCHEMBL30477507 0.76 SNCA (0.62) MAPTALDH1A1SNCATSHRPOLB

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-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 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 (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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 MAPT 4563/4885ALDH1A1 1161/4885SNCA 1533/4885

“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.