SCHEMBL3268207

SCHEMBL3268207

O=Cc1c(Br)cc(F)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.42
HPRT1 P00492 1/20 0.37
GSK3B P49841 1/20 0.35
ERN1 O75460 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
AHR P35869 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9838932 0.78 PADI4 (0.44) PADI4GSK3BERN1ALDH1A1HTT
SCHEMBL15104846 0.77 ALDH1A1 (0.43) PADI4GSK3BERN1ALDH1A1HTT
SCHEMBL3267563 0.77 PADI4 (0.42) PADI4HPRT1ERN1ALDH1A1HTT
SCHEMBL3371061 0.77 PADI4 (0.52) PADI4GSK3BERN1HTTKMT2A
SCHEMBL20565011 0.75 VCP (0.51) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL20565009 0.75 VCP (0.51) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL3272295 0.74 ALDH1A1 (0.42) PADI4HPRT1ERN1ALDH1A1HTT
SCHEMBL3267632 0.74 ERN1 (0.35) GSK3BERN1ALDH1A1HTTKMT2A
SCHEMBL5420882 0.71 CA1 (0.37) ERN1
SCHEMBL30975518 0.71 CA1 (0.37) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN disclosed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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 (3 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 PADI4 3251/4885HPRT1 2824/4885GSK3B 4430/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 PADI4 1698/4885HPRT1 241/4885GSK3B 3793/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 PADI4 1698/4885HPRT1 241/4885GSK3B 3793/4885

“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.