SCHEMBL288853

SCHEMBL288853

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c(-c2ccc(Br)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
MCL1 Q07820 1/20 0.44
TSHR P16473 1/20 0.44
PTGER1 P34995 2/20 0.43
SMPD1 P17405 2/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL290026 0.87 PTGER1 (0.52) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL289420 0.84 KMT2A (0.60) KMT2ATDP1SLC6A2SLC6A3HPGD
SCHEMBL22015349 0.79 TDP1 (0.62) KMT2ATDP1SLC6A2SLC6A3HPGD
SCHEMBL794412 0.79 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3HPGD
SCHEMBL5736896 0.79 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3HPGD
SCHEMBL20482380 0.79 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3HPGD
SCHEMBL10253440 0.78 TDP1 (0.53) KMT2ATDP1SLC6A2SLC6A3HPGD
SCHEMBL16056330 0.77 MRGPRX4 (0.50) SMN1; SMN2LMNAKDM4EMRGPRX4PTGER1
SCHEMBL3960907 0.76 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3HPGD
SCHEMBL30141105 0.76 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO 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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 KMT2A 2457/4885TDP1 3545/4885SLC6A2 146/4885

“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.