SCHEMBL4058201

SCHEMBL4058201

CCOc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
AURKA O14965 4/20 0.54
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL4055350 0.91 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4060144 0.90 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4054555 0.88 AURKA (0.67) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4057196 0.88 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4058057 0.87 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4051984 0.87 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4059595 0.86 TP53 (0.56) SMN1; SMN2LMNAAURKAFGFR1FGFR2
SCHEMBL4236251 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4054551 0.85 AURKA (0.49) SMN1; SMN2LMNAHTTNPSR1RXFP1
SCHEMBL4052740 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTNPSR1RXFP1

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 4289/4885LMNA 2175/4885HTT 4772/4885

“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.