SCHEMBL4056005

SCHEMBL4056005

COCCn1c(-c2cccc(OC)c2)nc2ncc(-c3ccccc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.43
AR P10275 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
SCHEMBL4061731 0.90 TP53 (0.45) HPGDKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4061314 0.88 NR1H2 (0.46) HPGDKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4052208 0.88 GRIK2 (0.48) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4054527 0.86 TP53 (0.48) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4055524 0.85 KDM4E (0.42) HPGDKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4051483 0.85 KDM4E (0.45) HPGDKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL4049864 0.85 BRD4 (0.51) HPGDKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4051260 0.85 HTT (0.52) HPGDKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL4061667 0.85 BACE1 (0.50) KDM4ESMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL4054927 0.85 KDM4E (0.51) HPGDKDM4ESMN1; SMN2ALDH1A1HSD17B10

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 HPGD 3915/4885KDM4E 496/4885SMN1; SMN2 4289/4885

“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.