SCHEMBL2567525

SCHEMBL2567525

O=c1c2[nH]ccc2nc(SCCC2(O)CCOCC2)n1-c1ccc(OCC2CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.34
KMT2A Q03164 2/20 0.33
GRM2 Q14416 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
ACACB O00763 1/20 0.32
LMNA P02545 2/20 0.32
FADS1 O60427 1/20 0.32
MAPT P10636 3/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2566036 0.84 TP53 (0.38) TP53KMT2ATSHRMEN1LMNA
SCHEMBL3003298 0.84 TP53 (0.35) TP53KMT2ATSHRMEN1ACACB
SCHEMBL2566506 0.82 TP53 (0.34) TP53KMT2ATSHRMEN1ACACB
SCHEMBL2568131 0.81 TSHR (0.46) TP53KMT2ATSHRMEN1LMNA
SCHEMBL2564410 0.80 TSHR (0.41) TP53KMT2ATSHRMEN1ACACB
SCHEMBL3004162 0.79 TSHR (0.36) TP53KMT2ATSHRMEN1ACACB
SCHEMBL2997987 0.79 TSHR (0.40) TP53KMT2ATSHRMEN1ACACB
SCHEMBL2990546 0.78 TSHR (0.40) TP53KMT2ATSHRMEN1ACACB
SCHEMBL2567318 0.78 TSHR (0.36) TP53KMT2ATSHRLMNAFADS1
SCHEMBL2570283 0.78 TSHR (0.34) TP53KMT2ATSHRLMNAFADS1

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 836/4885KMT2A 2107/4885GRM2 3235/4885

“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.