SCHEMBL2566154

SCHEMBL2566154

CCOCCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC2CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 5/20 0.33
ACACB O00763 2/20 0.33
P2RX7 Q99572 1/20 0.32
PARP14 Q460N5 1/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
DGKA P23743 1/20 0.30
DGKZ Q13574 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL2997987 0.87 TSHR (0.40) ACACBLMNAMEN1ALDH1A1GAA
SCHEMBL3004967 0.84 BRD4 (0.38) BRD4LMNA
SCHEMBL2564410 0.82 TSHR (0.41) ACACBLMNAMEN1ALDH1A1GAA
SCHEMBL2990546 0.81 TSHR (0.40) ACACBLMNAMEN1ALDH1A1GAA
SCHEMBL2569802 0.79 TSHR (0.35) L3MBTL1ACACBLMNAMEN1ALDH1A1
SCHEMBL2990464 0.77 TSHR (0.35) L3MBTL1ACACBLMNAMEN1ALDH1A1
SCHEMBL2566441 0.75 FADS1 (0.47) LMNAMEN1ALDH1A1GAAMAPT
SCHEMBL2568131 0.75 TSHR (0.46) LMNAMEN1ALDH1A1GAAMAPT
SCHEMBL2561572 0.75 TP53 (0.38) BRD4
SCHEMBL2567318 0.74 TSHR (0.36) BRD4LMNAALDH1A1GAAMAPT

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
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES L3MBTL1 4475/4885BRD4 365/4885ACACB 187/4885

“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.