SCHEMBL3366196

SCHEMBL3366196

COC(=O)c1cc(-n2cccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.57
MAPT P10636 9/20 0.49
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
LMNA P02545 4/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.44
MDM2 Q00987 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KAT6A Q92794 1/20 0.40

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
SCHEMBL7415910 0.87 JAK2 (0.48) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL8302020 0.85 DTYMK (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6774142 0.83 MAPT (0.51) MAPTALDH1A1LMNAL3MBTL1RXFP1
SCHEMBL7827654 0.81 SIRT6 (0.63) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL23292639 0.80 MAPT (0.48) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL3369502 0.80 MAPT (0.48) MAPTALDH1A1LMNARXFP1KDM4E
SCHEMBL18094315 0.80 MAPT (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3364708 0.80 MAPT (0.48) MAPTALDH1A1LMNARXFP1KDM4E
SCHEMBL20556372 0.78 MAPT (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29495258 0.78 MAPT (0.61) SIRT6MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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 (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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SIRT6 2447/4885MAPT 4858/4885ALDH1A1 2005/4885

“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.