SCHEMBL5433210

SCHEMBL5433210

O=C(O)NCC(O)CNCc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
NLRP1 Q9C000 1/20 0.47
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
EPHX2 P34913 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL5436525 0.86 KMT2A (0.63) ALDH1A1MEN1KMT2ATAAR1CNR1
SCHEMBL15066568 0.84 HDAC8 (0.45) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL16054409 0.82 METAP2 (0.48) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL697972 0.80 ALDH1A1 (0.63) ALDH1A1LMNAMAPK1NLRP1TSHR
SCHEMBL5444425 0.78 SMN1; SMN2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5444561 0.77 BCHE (0.46) MEN1KMT2ALMNA
SCHEMBL5433895 0.76 PLA2G1B (0.57) ALDH1A1MEN1KMT2ATSHREPHX2
SCHEMBL19254238 0.74 HDAC8 (0.46) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL248588 0.74 HDAC8 (0.46) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL5939536 0.73 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNAMAPK1

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 OPRK1 745/4885ALDH1A1 524/4885MEN1 2249/4885

“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.