SCHEMBL2566938

SCHEMBL2566938

CC(C)CCOc1ccc(-n2c(SCCCC(=O)NCCC#N)nc3cc[nH]c3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
FADS1 O60427 1/20 0.37
USP2 O75604 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL2564706 0.93 RXFP1 (0.39) ALDH1A1HPGDLMNAFADS1USP2
SCHEMBL2989209 0.90 KDM4E (0.44) ALDH1A1LMNAUSP2CRHBPCRHR2
SCHEMBL2566556 0.90 FADS1 (0.38) ALDH1A1HPGDLMNAFADS1USP2
SCHEMBL13266354 0.90 FADS1 (0.37) ALDH1A1HPGDLMNAFADS1USP2
SCHEMBL2565057 0.89 HPGD (0.40) ALDH1A1HPGDLMNAFADS1USP2
SCHEMBL2567929 0.88 FADS1 (0.41) ALDH1A1HPGDLMNAFADS1USP2
SCHEMBL2567953 0.88 FADS1 (0.41) ALDH1A1HPGDLMNAFADS1USP2
SCHEMBL2564419 0.88 FADS1 (0.42) ALDH1A1HPGDLMNAFADS1USP2
SCHEMBL2566922 0.88 KDM4E (0.44) ALDH1A1LMNAUSP2CRHBPCRHR2
SCHEMBL2563086 0.88 TP53 (0.36) ALDH1A1HPGDLMNAFADS1USP2

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 ALDH1A1 875/4885HPGD 342/4885LMNA 4027/4885

“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.