SCHEMBL2565149

SCHEMBL2565149

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
PDE7A Q13946 1/20 0.43
TP53 P04637 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 4/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FADS1 O60427 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL13266455 0.87 TSHR (0.45) TSHRGAAPDE7ATP53KMT2A
SCHEMBL2560508 0.86 FADS1 (0.51) TSHRGAAPDE7ATP53KMT2A
SCHEMBL2560565 0.84 FADS1 (0.43) TSHRGAAPDE7ATP53KMT2A
SCHEMBL2567083 0.83 POLB (0.46) TSHRGAAPDE7ATP53LMNA
SCHEMBL2566638 0.83 TSHR (0.46) TSHRGAAPDE7ATP53KMT2A
SCHEMBL13257642 0.81 PDE7A (0.51) TSHRGAAPDE7ATP53KMT2A
SCHEMBL2565059 0.78 FADS1 (0.54) TSHRGAAPDE7ATP53KMT2A
SCHEMBL13257478 0.78 PDE7A (0.43) PDE7ATP53KMT2AMEN1MAPT
SCHEMBL13266384 0.78 MEN1 (0.37) TSHRGAATP53KMT2AMEN1
SCHEMBL13266551 0.77 TP53 (0.38) PDE7ATP53KMT2AMEN1MAPT

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 TSHR 4543/4885GAA 3631/4885PDE7A 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.