SCHEMBL5433895

SCHEMBL5433895

O=C(O)NCC(O)CNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.57
POLB P06746 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
DNM1 Q05193 1/20 0.53
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.47
BCHE P06276 5/20 0.46
TRPV1 Q8NER1 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL5437755 0.81 BCHE (0.48) BCHE
SCHEMBL5444561 0.81 BCHE (0.46) DNM1BCHEMEN1KMT2A
SCHEMBL31362165 0.80 TSHR (0.69) POLBTSHRSMN1; SMN2HPGDTRPV1
SCHEMBL3169688 0.80 TSHR (0.69) POLBTSHRSMN1; SMN2HPGDTRPV1
SCHEMBL4325517 0.79 TSHR (0.55) PLA2G1BPOLBATG4BTSHRSMN1; SMN2
SCHEMBL18076397 0.77 DNM1 (0.56) DNM1HPGDBCHEALDH1A1
SCHEMBL5433210 0.76 OPRK1 (0.51) TSHRMEN1ALDH1A1KMT2AEPHX2
SCHEMBL5440995 0.75 BCHE (0.46) POLBBCHEMEN1KMT2A
SCHEMBL18076414 0.74 KMT2A (0.55) DNM1TSHRBCHEMEN1KMT2A
SCHEMBL25335496 0.74 PNMT (0.50) TSHRSMN1; SMN2HPGDTRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT PLA2G1B 1673/4885POLB 2547/4885ATG4B 2401/4885

“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.