SCHEMBL4063472

SCHEMBL4063472

c1coc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
PKM P14618 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PARP1 P09874 2/20 0.45
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
SIRT1 Q96EB6 2/20 0.43

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
SCHEMBL4059829 0.84 PARP1 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL13608015 0.82 PARP1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL4062911 0.81 IKBKE (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL4055578 0.81 SIRT1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL4050957 0.81 IKBKE (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4059593 0.80 IKBKE (0.47) KDM4EALDH1A1SMN1; SMN2PKMNPC1
SCHEMBL4062195 0.79 MGAM (0.45) GAAIKBKETBK1GUSB
SCHEMBL4055850 0.79 SCD (0.53) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL4051595 0.79 AURKA (0.57) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL4060379 0.79 AURKA (0.56) KDM4EALDH1A1HPGDSMN1; SMN2NPSR1

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 KDM4E 496/4885ALDH1A1 3683/4885HPGD 3915/4885

“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.