SCHEMBL2567083

SCHEMBL2567083

CCSc1nc2[nH]ccc2c(=O)n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE7A Q13946 1/20 0.45
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
TRPV4 Q9HBA0 3/20 0.41
ALDH1A1 P00352 2/20 0.39
HPD P32754 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FADS1 O60427 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
THRB P10828 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL2570522 0.88 POLB (0.48) POLBL3MBTL1LMNATSHRTRPV4
SCHEMBL2560508 0.88 FADS1 (0.51) POLBPDE7ATP53LMNATSHR
SCHEMBL2560565 0.86 FADS1 (0.43) POLBPDE7ATP53LMNATSHR
SCHEMBL13266455 0.84 TSHR (0.45) POLBPDE7ATP53LMNATSHR
SCHEMBL2565149 0.83 TSHR (0.44) POLBPDE7ATP53LMNATSHR
SCHEMBL13257642 0.83 PDE7A (0.51) PDE7ATP53LMNATSHRGAA
SCHEMBL2566638 0.81 TSHR (0.46) POLBPDE7ATP53LMNATSHR
SCHEMBL2565059 0.80 FADS1 (0.54) POLBPDE7ATP53LMNATSHR
SCHEMBL2566027 0.78 FADS1 (0.52) POLBTP53LMNATSHRGAA
SCHEMBL2564047 0.78 FADS1 (0.49) POLBPDE7ATP53LMNATSHR

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 6 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
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 POLB 4165/4885L3MBTL1 4475/4885PDE7A 2399/4885

“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.