SCHEMBL5368772

SCHEMBL5368772

N#C/C(C(=O)c1ccc(Cl)cc1)=C1/COCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
PHGDH O43175 2/20 0.38
ALDH1A1 P00352 5/20 0.34
ALOX12 P18054 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL14559443 1.00 MAPT (0.48) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL5368776 1.00 MAPT (0.48) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL14559440 0.96 MAPT (0.45) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL5375917 0.87 MAPT (0.48) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL14559432 0.87 KMT2A (0.48) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL5375914 0.87 MAPT (0.48) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL14559441 0.87 MAPT (0.48) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL14559434 0.86 KMT2A (0.48) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL14559442 0.84 PHGDH (0.36) MAPTKMT2AMEN1TSHRMAPK1
SCHEMBL14559453 0.84 MAPT (0.41) MAPTKMT2AMEN1TSHRMAPK1

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.