SCHEMBL2569162

SCHEMBL2569162

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
USP2 O75604 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2565557 0.91 TP53 (0.42) TP53LMNAALDH1A1TSHRMAPT
SCHEMBL13242269 0.88 TP53 (0.43) TP53LMNAALDH1A1TSHRMAPT
SCHEMBL2989209 0.86 KDM4E (0.44) TP53LMNAALDH1A1MAPTMEN1
SCHEMBL2566922 0.85 KDM4E (0.44) TP53LMNAALDH1A1MAPTMEN1
SCHEMBL3003973 0.84 KDM4E (0.45) TP53LMNAALDH1A1MAPTMEN1
SCHEMBL2567954 0.83 KDM4E (0.53) TP53LMNAALDH1A1MAPTMEN1
SCHEMBL2564092 0.82 KDM4E (0.43) TP53LMNAALDH1A1MAPTMEN1
SCHEMBL2565418 0.81 MEN1 (0.46) TP53LMNAALDH1A1MAPTMEN1
SCHEMBL2564272 0.81 ALDH1A1 (0.42) TP53LMNAALDH1A1TSHRMAPT
SCHEMBL2564706 0.80 RXFP1 (0.39) TP53LMNAALDH1A1TSHRMAPT

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 TP53 836/4885LMNA 4027/4885ALDH1A1 875/4885

“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.