SCHEMBL80853

SCHEMBL80853

FC(F)(F)c1ccc(CCCBr)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
PDE2A O00408 3/20 0.40
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL5426897 0.89 DAO (0.52) DAOSIRT2MRGPRX4PDE2AHTR2A
SCHEMBL80803 0.86 SIRT2 (0.42) DAOSIRT2PDE2AHTR2ASLC6A4
SCHEMBL81697 0.83 DAO (0.50) DAOMRGPRX4PDE2AKCNH2ALDH1A1
SCHEMBL3208015 0.82 PDE2A (0.49) DAOMRGPRX4PDE2AHTR2ASLC6A4
SCHEMBL14232678 0.80 AVPR2 (0.50) ALDH1A1MAPTLMNAP2RX7
SCHEMBL1570121 0.79 DAO (0.52) DAOMRGPRX4PDE2AHTR2ASLC6A4
SCHEMBL28025195 0.78 DAO (0.46) DAOSIRT2MRGPRX4
SCHEMBL3211500 0.76 DAO (0.49) DAOMRGPRX4PDE2AHTR2ASLC6A4
SCHEMBL11279910 0.76 IDO1 (0.52) SIRT2IDO1
SCHEMBL25090301 0.75 SLC6A4 (0.41) DAOPDE2AHTR2ASLC6A4KCNH2

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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C DAO 755/4885SIRT2 3865/4885MRGPRX4 92/4885

“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.