SCHEMBL79939

SCHEMBL79939

FC(F)(F)Oc1ccc(CCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 4/20 0.43
GPR84 Q9NQS5 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 2/20 0.40
LTA4H P09960 1/20 0.40
PPARA Q07869 1/20 0.39
GRM2 Q14416 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
MAPT P10636 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL7765226 0.94 DAO (0.44) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL11402931 0.93 DAO (0.43) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL3051500 0.88 DAO (0.47) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL80689 0.81 PPARA (0.58) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL13098056 0.81 LTA4H (0.50) DAOSLC6A4EPHX2LTA4HPPARA
SCHEMBL2056243 0.81 TSHR (0.50) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL80992 0.81 DAO (0.45) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL19993379 0.81 DAO (0.45) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL22621150 0.81 DAO (0.45) DAOSLC6A4SLC6A3GPR84ALDH1A1
SCHEMBL1044317 0.81 DAO (0.49) DAOSLC6A4SLC6A3GPR84ALDH1A1

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 9 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-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 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-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 (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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS DAO 2115/4885SLC6A4 2620/4885SLC6A3 2847/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C DAO 755/4885SLC6A4 45/4885SLC6A3 177/4885

“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.