SCHEMBL2575941

SCHEMBL2575941

O=C(O)CCNC(=O)CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.51
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL2564109 0.92 FADS1 (0.50) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2563678 0.91 FADS1 (0.53) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2572910 0.90 FADS1 (0.49) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2567374 0.90 FADS1 (0.49) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2564293 0.89 FADS1 (0.51) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2565560 0.88 FADS1 (0.50) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2565491 0.86 FADS1 (0.53) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2568063 0.86 FADS1 (0.49) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2569630 0.86 FADS1 (0.47) FADS1MEN1KMT2AMAPTTP53
SCHEMBL2574326 0.85 FADS1 (0.48) FADS1MEN1KMT2AMAPTTP53

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 5 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
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 FADS1 140/4885MEN1 2857/4885KMT2A 2107/4885

“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.