SCHEMBL408423

SCHEMBL408423

COC(=O)C1CCN(c2nnc(-c3ccccc3)o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
ACHE P22303 3/20 0.50
BACE1 P56817 3/20 0.50
BCHE P06276 2/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN1 P18031 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.44
KCNMA1 Q12791 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 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
SCHEMBL406927 0.85 ACHE (0.56) ALDH1A1ACHEBACE1BCHEMEN1
SCHEMBL437121 0.79 TNKS (0.50) ALDH1A1PTPN1MAPTNPC1RAB9A
SCHEMBL408245 0.79 TNKS (0.50) ALDH1A1PTPN1MAPTNPC1RAB9A
SCHEMBL29988254 0.75 KDM4E (0.54) ALDH1A1ACHEBACE1BCHESMN1; SMN2
SCHEMBL1221442 0.75 MAPT (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29988060 0.74 RAB9A (0.63) ALDH1A1ACHEBACE1BCHESMN1; SMN2
SCHEMBL407317 0.74 TNKS (0.46) ALDH1A1PTPN1MAPTNPC1RAB9A
SCHEMBL21384357 0.73 RAB9A (0.57) ALDH1A1ACHEBACE1BCHESMN1; SMN2
SCHEMBL27195347 0.73 ENPP2 (0.40) ALDH1A1ALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL20165656 0.73 RIPK1 (0.76)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ALDH1A1 272/4885ACHE 1000/4885BACE1 1521/4885

“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.