SCHEMBL349231

SCHEMBL349231

CCOC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])cc2CO)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CETP P11597 1/20 0.40
TBXA2R P21731 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
TTR P02766 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL1570668 0.92 CETP (0.41) LMNAHTTKMT2AMEN1CETP
SCHEMBL350170 0.88 LMNA (0.37) LMNAHTTKMT2AMEN1CETP
SCHEMBL349730 0.88 CETP (0.40) LMNAHTTKMT2AMEN1CETP
SCHEMBL348421 0.86 LMNA (0.40) LMNAHTTKMT2AMEN1CETP
SCHEMBL1645250 0.84 SLC6A4 (0.44) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL13761009 0.83 RXRA (0.34) KMT2AMEN1CETPALDH1A1MAPT
SCHEMBL5092006 0.78 LMNA (0.46) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL348004 0.77 TTR (0.53) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL1643581 0.77 SLC6A4 (0.44) CETPALDH1A1MAPTTHRB
SCHEMBL349489 0.77 LMNA (0.45) LMNAHTTKMT2AMEN1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2010003120-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (4 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885KMT2A 4646/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885KMT2A 4646/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885KMT2A 4646/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LMNA 2161/4885HTT 4522/4885KMT2A 4618/4885

“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.