SCHEMBL1921610

SCHEMBL1921610

O=C(NCc1ccccc1)c1ccc(Br)c(CN(Cc2ccccc2)C(=O)C2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
PPARG P37231 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
HDAC6 Q9UBN7 3/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LPAR1 Q92633 2/20 0.44

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
SCHEMBL1921571 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL1923971 0.86 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL1922504 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTCNR2
SCHEMBL1922514 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL1922200 0.80 LPAR1 (0.50) MEN1KMT2AALDH1A1RAB9ALPAR1
SCHEMBL3402369 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL1922879 0.79 PTGDR2 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL16501869 0.79 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL1922289 0.76 MEN1 (0.54) MEN1KMT2APTGDR2
SCHEMBL1924103 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1LMNAHTT

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 8 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-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 US disclosed
CN-102164894-A Heteroaryl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2011-08-24 CN disclosed
EP-2328869-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-06-08 EP disclosed
WO-2010037054-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US 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 (2 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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4812/4885KMT2A 4268/4885ALDH1A1 1786/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4828/4885KMT2A 4142/4885ALDH1A1 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.