SCHEMBL4925811

SCHEMBL4925811

COC(=O)c1ccc2c(c1)nc(SCc1cc(C)on1)n2-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.45
IDH1 O75874 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.37
CRBN Q96SW2 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL4929484 0.85 PTGDR2 (0.49) IDH1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4928495 0.83 PTGDR2 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL4932239 0.81 IDH1 (0.42) IDH1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4930035 0.77 ALDH1A1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4930768 0.75 ALDH1A1 (0.53) IDH1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL22235760 0.65 KDM4E (0.45) IDH1KDM4EALDH1A1LMNAKMT2A
SCHEMBL148148 0.64 KDM4E (0.58) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12374638 0.64 KDM4E (0.52) IDH1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL541343 0.64 HSD17B10 (0.76) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12374637 0.63 SIRT2 (0.48) IDH1KDM4EALDH1A1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 METAP2 1309/4885IDH1 2177/4885KDM4E 2237/4885

“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.