SCHEMBL16856785

SCHEMBL16856785

COC(=O)c1cc(Cl)c(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
VCAM1 P19320 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RAF1 P04049 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL3563511 0.83 CA12 (0.47) MAPTPOLBLMNAALDH1A1KDM4E
SCHEMBL22081923 0.81 MAPT (0.52) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL30159180 0.81 MAPT (0.52) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL22121312 0.81 KMT2A (0.47) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL752806 0.80 GPR35 (0.54) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL2903036 0.80 MAPT (0.51) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL29621637 0.80 GPR35 (0.54) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL2809633 0.80 LMNA (0.53) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL645817 0.79 VCAM1 (0.55) MAPTPOLBLMNAALDH1A1VCAM1
SCHEMBL4892239 0.78 TPMT (0.56) MAPTPOLBLMNAALDH1A1VCAM1

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-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 MAPT 4856/4885POLB 1221/4885LMNA 1646/4885

“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.