SCHEMBL2568339

SCHEMBL2568339

CCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.40
GRM2 Q14416 4/20 0.40
ALDH1A1 P00352 1/20 0.38
KMO O15229 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE7A Q13946 1/20 0.36

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
SCHEMBL2564093 0.90 BRD4 (0.41) BRD4PDE7A
SCHEMBL2558198 0.89 GRM2 (0.36) BRD4GRM2ALDH1A1KMOMEN1
SCHEMBL2568131 0.85 TSHR (0.46) ALDH1A1MEN1KMT2APDE7A
SCHEMBL2561572 0.79 TP53 (0.38) BRD4
SCHEMBL3004967 0.79 BRD4 (0.38) BRD4
SCHEMBL2564410 0.75 TSHR (0.41) ALDH1A1MEN1KMT2A
SCHEMBL2566434 0.75 BRD4 (0.43) BRD4
SCHEMBL2573319 0.74 BRD4 (0.40) BRD4KMO
SCHEMBL2997987 0.74 TSHR (0.40) ALDH1A1MEN1KMT2A
SCHEMBL2566036 0.74 TP53 (0.38) ALDH1A1MEN1KMT2APDE7A

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 BRD4 365/4885GRM2 3235/4885ALDH1A1 875/4885

“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.