SCHEMBL350090

SCHEMBL350090

COC(=O)Cc1cc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TBXA2R P21731 4/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL349253 0.91 MEN1 (0.44) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL13521862 0.90 MEN1 (0.44) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL2278130 0.88 MEN1 (0.41) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL350545 0.86 TBXA2R (0.42) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL347147 0.84 MEN1 (0.44) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL348294 0.83 KMT2A (0.39) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL2355012 0.80 TTR (0.49) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL7112512 0.76 PTGS1 (0.47) MEN1KMT2ATBXA2RHTTALDH1A1
SCHEMBL1570668 0.76 CETP (0.41) MEN1KMT2AGAATBXA2RHTT
SCHEMBL1997562 0.76 HSP90AB1 (0.49) MEN1KMT2AHTTALDH1A1SMN1; SMN2

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 MEN1 4751/4885KMT2A 4646/4885GAA 3993/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4751/4885KMT2A 4646/4885GAA 3993/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 MEN1 4751/4885KMT2A 4646/4885GAA 3993/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 MEN1 4760/4885KMT2A 4618/4885GAA 3473/4885

“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.