SCHEMBL10064353

SCHEMBL10064353

NCCNC[C@@H]1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.49
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8111404 1.00 ANPEP (0.49) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL10151332 0.92 ANPEP (0.46) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL15671149 0.88 USP2 (0.50) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL22876904 0.87 ANPEP (0.42) ANPEPUSP2SMN1; SMN2KMT2APKM
Bromide SCHEMBL15671179 0.86 KMT2A (0.50) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL611743 0.83 KMT2A (0.53) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL15740339 0.81 USP2 (0.45) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL12846940 0.81 USP2 (0.45) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL11413505 0.81 KMT2A (0.46) ANPEPUSP2SMN1; SMN2KMT2APKM
SCHEMBL3428839 0.81 USP2 (0.49) ANPEPUSP2SMN1; SMN2KMT2AHPGD

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-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC 2012-04-05 US disclosed
WO-2010141539-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO 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-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ANPEP 1138/4885USP2 3091/4885SMN1; SMN2 3874/4885

“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.