SCHEMBL4051260

SCHEMBL4051260

COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CNR2 P34972 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 8/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
TLR7 Q9NYK1 2/20 0.47
PPARG P37231 2/20 0.47
GAA P10253 1/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
BRD4 O60885 1/20 0.45
POLB P06746 1/20 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
SCHEMBL4058160 0.97 HTT (0.54) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4053757 0.96 HTT (0.53) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4052511 0.94 MAPT (0.52) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4049864 0.94 BRD4 (0.51) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4053870 0.93 MAPT (0.45) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4059602 0.93 NR1H2 (0.47) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4059681 0.93 NR1H2 (0.48) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4062062 0.92 SERPINE1 (0.48) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4051246 0.92 CCR2 (0.46) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4060426 0.92 MAPT (0.45) HTTSMN1; SMN2KDM4EALDH1A1LMNA

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 5 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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
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 HTT 4772/4885SMN1; SMN2 4289/4885KDM4E 496/4885

“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.