SCHEMBL5731999

SCHEMBL5731999

CC(=O)Nc1nc(C=NO)c(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DYRK1A Q13627 7/20 0.41
FSCN1 Q16658 1/20 0.41
MAPT P10636 4/20 0.40
ABL1 P00519 1/20 0.40
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5731997 1.00 MEN1 (0.43) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL9048861 0.72 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL11163768 0.69 KMT2A (0.49) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL5731637 0.69 KMT2A (0.46) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL5731438 0.68 DYRK1A (0.47) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL8124144 0.66 MAPT (0.50) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL29956363 0.66 DYRK1A (0.44) DYRK1AFSCN1MAPTABL1ADORA1
SCHEMBL20422013 0.66 MAPT (0.51) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL27459154 0.65 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2DYRK1AFSCN1
SCHEMBL1233961 0.64 PIK3CG (0.51) MEN1KMT2ASMN1; SMN2MAPTKDM4E

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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 EP disclosed
WO-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 MEN1 4241/4885KMT2A 3744/4885SMN1; SMN2 2565/4885

“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.