SCHEMBL1007888

SCHEMBL1007888

CCNCc1cc([N+](=O)[O-])ccc1Oc1cc(CC(=O)OCC)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TTR P02766 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL348004 0.88 TTR (0.53) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL347720 0.87 HTT (0.47) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL13521899 0.87 HTT (0.47) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL1944236 0.87 ALDH1A1 (0.42) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL137287 0.86 ALDH1A1 (0.46) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL1946100 0.86 ALDH1A1 (0.49) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL347672 0.84 CYP3A4 (0.53) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL347026 0.83 HTT (0.47) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL1065612 0.83 ALDH1A1 (0.48) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL350012 0.83 HTT (0.44) HTTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTT 4339/4885ALDH1A1 1769/4885LMNA 2302/4885

“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.