SCHEMBL5375917

SCHEMBL5375917

N#CC(C(=O)c1ccc(Br)cc1)=C1COCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PHGDH O43175 1/20 0.38
ALDH1A1 P00352 5/20 0.34
DHODH Q02127 1/20 0.33
LMNA P02545 3/20 0.32
RECQL P46063 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL14559441 1.00 MAPT (0.48) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL5375914 1.00 MAPT (0.48) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL5368772 0.87 MAPT (0.48) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL14559443 0.87 MAPT (0.48) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL14559432 0.87 KMT2A (0.48) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL5368776 0.87 MAPT (0.48) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL5372817 0.84 MEN1 (0.45) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL14559437 0.84 MEN1 (0.45) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL5372820 0.84 MEN1 (0.45) MAPTKMT2AMEN1MAPK1TSHR
SCHEMBL14559440 0.84 MAPT (0.45) MAPTKMT2AMEN1MAPK1TSHR

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-7186829-B1 Aryl-substituted heterocyclic enaminones BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-20060069253-A1 Aryl-substituted heterocyclic enaminones FISCHER REINER 2006-03-30 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-20060069253-A1 Aryl-substituted heterocyclic enaminones DDT, NPY4R, NPY5R MAPT 4366/4885KMT2A 664/4885MEN1 2635/4885

“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.