SCHEMBL2423786

SCHEMBL2423786

COC(=O)c1cc(NC(C)C)c(C(N)=O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NNMT P40261 2/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL2426953 0.86 HSP90AA1 (0.44) HSP90AA1HSP90AB1NNMTKDM4EALDH1A1
SCHEMBL2426951 0.86 HSP90AA1 (0.44) HSP90AA1HSP90AB1NNMTKDM4EALDH1A1
SCHEMBL2424707 0.84 HSP90AA1 (0.41) HSP90AA1HSP90AB1NNMTKDM4EALDH1A1
SCHEMBL2425921 0.77 LMNA (0.47) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL2430255 0.76 KDM4E (0.50) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL2424070 0.76 HCAR3 (0.42) HSP90AA1HSP90AB1NNMTKDM4EALDH1A1
SCHEMBL2424072 0.76 HCAR3 (0.42) HSP90AA1HSP90AB1NNMTKDM4EALDH1A1
SCHEMBL2427397 0.76 KDM4E (0.54) NNMTKDM4EALDH1A1SIRT2GAA
SCHEMBL13450322 0.74 HSP90AA1 (0.47) HSP90AA1HSP90AB1NNMTKDM4EALDH1A1
SCHEMBL2430012 0.74 HSP90AA1 (0.35) HSP90AA1HSP90AB1NNMTKDM4EALDH1A1

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
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 HSP90AA1 1888/4885HSP90AB1 1352/4885NNMT 4251/4885

“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.