SCHEMBL4058869

SCHEMBL4058869

COc1ccc(Cc2nc3ncc(Br)cc3[nH]2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
POLB P06746 2/20 0.47
ENPP1 P22413 1/20 0.45
ALDH1A1 P00352 4/20 0.42
MAPK10 P53779 1/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
RNASEH1 O60930 1/20 0.40
PKM P14618 1/20 0.40
AURKA O14965 1/20 0.39

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
SCHEMBL4061764 0.92 POLB (0.57) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL4061118 0.84 SMN1; SMN2 (0.63) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL4062403 0.83 SMN1; SMN2 (0.53) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL4056469 0.83 NOS3 (0.54) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL4055794 0.81 NOS3 (0.60) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL4051036 0.81 SMN1; SMN2 (0.73) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL13607828 0.81 POLB (0.47) SMN1; SMN2HTTPOLBALDH1A1HPGD
SCHEMBL4054292 0.81 SMN1; SMN2 (0.56) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL4057239 0.80 SMN1; SMN2 (0.61) RXFP1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL4049571 0.79 POLB (0.46) RXFP1SMN1; SMN2NPSR1LMNAHTT

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 RXFP1 2581/4885SMN1; SMN2 4289/4885NPSR1 2788/4885

“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.