SCHEMBL2470464

SCHEMBL2470464

Cc1onc(-c2cccc(Br)c2)c1C(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.50
ABCB1 P08183 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 3/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
GPBAR1 Q8TDU6 3/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GHSR Q92847 1/20 0.43

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
SCHEMBL2472816 0.86 GPBAR1 (0.57) KMT2AMEN1GAATSHRPOLB
SCHEMBL2473629 0.85 KMT2A (0.51) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL1260319 0.85 KMT2A (0.66) KMT2AMEN1GAATSHRPOLB
SCHEMBL2472330 0.83 RAB9A (0.53) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL2472321 0.79 KMT2A (0.47) KMT2AMEN1GAATSHRPOLB
SCHEMBL2471701 0.77 GPBAR1 (0.54) KMT2AMEN1GAATSHRPOLB
SCHEMBL4034243 0.75 KMT2A (0.49) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL27715415 0.74 HTT (0.47) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL3975091 0.74 HTT (0.54) CACNA1FABCB1CACNA1DCACNA1SCACNA1C
SCHEMBL2473847 0.72 GPBAR1 (0.56) TSHRPOLBMAPK1GPBAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof ARENA PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof ARENA PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof ARENA PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2005087765-A1 LIGANDS OF FOLLICLE STIMULATING HORMONE RECEPTOR AND METHODS OF USE THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-09-22 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 CACNA1F 411/4885ABCB1 686/4885CACNA1D 308/4885
US-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof FSHR, GNRHR, LHCGR CACNA1F 3746/4885ABCB1 3924/4885CACNA1D 4200/4885

“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.