SCHEMBL2563086

SCHEMBL2563086

N#CCCNC(=O)CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCCC2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.36
FADS1 O60427 1/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
TYK2 P29597 4/20 0.36
JAK3 P52333 4/20 0.36
LMNA P02545 3/20 0.34
USP2 O75604 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL2566749 0.93 TP53 (0.37) TP53FADS1JAK2JAK1TYK2
SCHEMBL2564706 0.90 RXFP1 (0.39) TP53FADS1LMNAUSP2CRHBP
SCHEMBL2568369 0.90 TP53 (0.38) TP53FADS1JAK2JAK1TYK2
SCHEMBL2567929 0.89 FADS1 (0.41) TP53FADS1LMNAUSP2CRHBP
SCHEMBL2567953 0.89 FADS1 (0.41) TP53FADS1LMNAUSP2CRHBP
SCHEMBL2566556 0.89 FADS1 (0.38) TP53FADS1LMNAUSP2CRHBP
SCHEMBL13266354 0.89 FADS1 (0.37) TP53FADS1LMNAUSP2CRHBP
SCHEMBL2989209 0.88 KDM4E (0.44) TP53LMNAUSP2CRHBPCRHR2
SCHEMBL2566938 0.88 ALDH1A1 (0.43) TP53FADS1LMNAUSP2CRHBP
SCHEMBL2567374 0.88 FADS1 (0.49) TP53FADS1LMNAUSP2CRHBP

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 TP53 836/4885FADS1 140/4885JAK2 45/4885

“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.