SCHEMBL4050486

SCHEMBL4050486

Clc1ccc(Cc2nc3ncc(Br)cc3[nH]2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
RXFP1 Q9HBX9 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK10 P53779 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PKM P14618 1/20 0.43
RNASEH1 O60930 1/20 0.43
ADORA2A P29274 1/20 0.42
ESR1 P03372 1/20 0.41
AURKA O14965 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL4060903 0.88 NOS3 (0.52) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4057753 0.86 SMN1; SMN2 (0.51) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4062527 0.83 SMN1; SMN2 (0.51) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4054292 0.82 SMN1; SMN2 (0.56) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4058306 0.82 SMN1; SMN2 (0.52) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4052526 0.81 HPGD (0.63) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4060448 0.81 ALDH1A1 (0.58) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4052709 0.79 ALDH1A1 (0.54) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL4057948 0.79 ALDH1A1 (0.51) SMN1; SMN2RXFP1NPSR1LMNAHTT
SCHEMBL13607793 0.79 RNASEH1 (0.43) LMNAALDH1A1HPGDRNASEH1ADORA2A

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.