SCHEMBL92973

SCHEMBL92973

COc1c(OC(C)=O)ccc(C=O)c1N=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
TLR2 O60603 1/20 0.37
ERN1 O75460 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
CA1 P00915 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
SCHEMBL1535289 0.84 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL6901102 0.83 ABCG2 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13873896 0.79 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL31091677 0.79 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL3539621 0.79 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL93023 0.76 CA1 (0.54) ALDH1A1HPGDTLR2ERN1TLR1
SCHEMBL82579 0.74 MEN1 (0.60) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL29456226 0.74 MEN1 (0.60) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL8313384 0.73 ERN1 (0.54) ALDH1A1TLR2ERN1TLR1TLR6
SCHEMBL12587484 0.73 ACHE (0.45) ALDH1A1LMNAHPGDKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 ALDH1A1 4300/4885MAPT 2333/4885LMNA 4764/4885

“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.