SCHEMBL4055504

SCHEMBL4055504

CC(=O)c1ccccc1-c1cnc2nc(COc3ccccc3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PRMT5 O14744 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK10 P53779 1/20 0.39
DHODH Q02127 1/20 0.39
PABPC1 P11940 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
SCHEMBL13608294 0.83 RAB9A (0.44) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL4059592 0.81 SMN1; SMN2 (0.48) SMN1; SMN2RXFP1LMNAHTTNPSR1
SCHEMBL4058507 0.80 NOS3 (0.58) SMN1; SMN2RXFP1LMNAHTTNPSR1
SCHEMBL4058789 0.78 POLB (0.51) SMN1; SMN2LMNAHTTNOS3NOS1
SCHEMBL4055336 0.77 AURKA (0.55) DHODHCYP1A2IKBKEAURKBTBK1
SCHEMBL4062119 0.75 TRPV1 (0.57) SMN1; SMN2LMNARAB9ANPC1MEN1
SCHEMBL4062124 0.75 TRPV1 (0.57) SMN1; SMN2LMNARAB9ANPC1MEN1
SCHEMBL4055025 0.73 SMN1; SMN2 (0.47) SMN1; SMN2RXFP1LMNAHTTNPSR1
SCHEMBL4051951 0.73 SMN1; SMN2 (0.47) SMN1; SMN2RXFP1LMNAHTTNPSR1
SCHEMBL4053960 0.73 SMN1; SMN2 (0.75) SMN1; SMN2RXFP1LMNAHTTNPSR1

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 2581/4885LMNA 2175/4885

“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.