SCHEMBL4053889

SCHEMBL4053889

Fc1ccc(Cc2nc3ncc(Br)cc3[nH]2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
PPARG P37231 1/20 0.48
RAB9A P51151 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK10 P53779 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 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
SCHEMBL4052526 0.83 HPGD (0.63) HPGDNPSR1TDP1POLBCTDSP1
SCHEMBL13607792 0.80 PCSK9 (0.37) HPGDNPSR1TDP1POLBCTDSP1
SCHEMBL4058304 0.78 ADORA2A (0.40) NOS3NOS1NOS2MPOPCSK9
SCHEMBL4049425 0.76 HPGD (0.62) HPGDNPSR1TDP1POLBCTDSP1
SCHEMBL4059176 0.76 ADRA2A (0.36) HPGDNPSR1SMN1; SMN2ALDH1A1NOS3
SCHEMBL4057948 0.75 ALDH1A1 (0.51) HPGDNPSR1TDP1POLBCTDSP1
SCHEMBL4060448 0.74 ALDH1A1 (0.58) HPGDNPSR1TDP1POLBCTDSP1
SCHEMBL30956290 0.74 PCSK9 (0.48) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL4054292 0.73 SMN1; SMN2 (0.56) HPGDNPSR1TDP1POLBCTDSP1
SCHEMBL30956282 0.72 F10 (0.51) HPGDSMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B HPGD 3915/4885NPSR1 2788/4885TDP1 3167/4885

“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.