SCHEMBL4054292

SCHEMBL4054292

Cc1ccc(Cc2nc3ncc(Br)cc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
RXFP1 Q9HBX9 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK10 P53779 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PKM P14618 1/20 0.45
AURKA O14965 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL4053617 0.89 NOS3 (0.57) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4057753 0.87 SMN1; SMN2 (0.51) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4052526 0.87 HPGD (0.63) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4060448 0.87 ALDH1A1 (0.58) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4058626 0.87 SMN1; SMN2 (0.51) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4061118 0.87 SMN1; SMN2 (0.63) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4052709 0.85 ALDH1A1 (0.54) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4053884 0.84 SMN1; SMN2 (0.48) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4058306 0.82 SMN1; SMN2 (0.52) SMN1; SMN2RXFP1NPSR1HTTLMNA
SCHEMBL4050486 0.82 SMN1; SMN2 (0.49) SMN1; SMN2RXFP1NPSR1HTTLMNA

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