SCHEMBL5731996

SCHEMBL5731996

CCOC(=O)c1ncc(Sc2ccccc2N)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 5/20 0.47
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
MAPT P10636 7/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHEK2 O96017 1/20 0.40
TP53 P04637 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL19224559 0.82 ALDH1A1 (0.51) ALDH1A1POLBMAPK1HSD17B10CDC7
SCHEMBL19255495 0.75 MAPT (0.45) ALDH1A1POLBCDC7DBF4MAPT
SCHEMBL5732391 0.75 ALDH1A1 (0.56) ALDH1A1POLBMAPK1HSD17B10CDC7
SCHEMBL9131623 0.74 ALDH1A1 (0.69) ALDH1A1POLBMAPK1HSD17B10MAPT
SCHEMBL5731992 0.74 ALDH1A1 (0.55) ALDH1A1POLBMAPK1HSD17B10CDC7
SCHEMBL5879520 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1CDC7DBF4MAPT
SCHEMBL15587102 0.72 MYC (0.44) ALDH1A1POLBMAPTKDM4EPKM
SCHEMBL5731900 0.71 ALDH1A1 (0.54) ALDH1A1POLBMAPK1HSD17B10CDC7
SCHEMBL5732119 0.71 ALDH1A1 (0.54) ALDH1A1POLBMAPK1HSD17B10CDC7
SCHEMBL19224496 0.69 LMNA (0.50) ALDH1A1MAPK1CDC7DBF4MAPT

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 ALDH1A1 2523/4885POLB 4011/4885MAPK1 3789/4885

“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.