SCHEMBL2567307

SCHEMBL2567307

CCCCOc1ccc(-n2c(SCCCC(=O)NCCC#N)nc3[nH]ccc3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
FADS1 O60427 1/20 0.39
PPARG P37231 1/20 0.38
USP2 O75604 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
BRD4 O60885 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IL15 P40933 1/20 0.36
IL15RA Q13261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL2560989 0.93 FADS1 (0.39) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL2565057 0.93 HPGD (0.40) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL13266356 0.92 FADS1 (0.38) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL2997097 0.91 FADS1 (0.42) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL2561999 0.91 FADS1 (0.42) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL13242291 0.89 FADS1 (0.49) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL2569007 0.89 FADS1 (0.37) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL2566916 0.89 JAK1 (0.40) RXFP1KDM4EPOLBMEN1KMT2A
SCHEMBL13257614 0.89 ALDH1A1 (0.39) POLBMEN1KMT2AUSP2MAPT
SCHEMBL2564706 0.88 RXFP1 (0.39) RXFP1KDM4EPOLBMEN1KMT2A

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 RXFP1 2962/4885KDM4E 2686/4885POLB 4165/4885

“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.