SCHEMBL1830261

SCHEMBL1830261

CCOC(=O)C(C)N=Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CTDSP1 Q9GZU7 1/20 0.46
PIN1 Q13526 1/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MIF P14174 2/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TSHR P16473 1/20 0.42
MMP8 P22894 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
SCHEMBL9778970 1.00 MEN1 (0.50) MEN1KMT2ACTDSP1PIN1NPC1
SCHEMBL10490150 1.00 MEN1 (0.50) MEN1KMT2ACTDSP1PIN1NPC1
SCHEMBL1959830 1.00 MEN1 (0.50) MEN1KMT2ACTDSP1PIN1NPC1
SCHEMBL29033269 0.87 MIF (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29176952 0.87 MIF (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9399429 0.86 MIF (0.43) MEN1KMT2ACTDSP1NPC1RAB9A
SCHEMBL29033273 0.85 NPC1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29033185 0.84 MAPT (0.44) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL9079738 0.84 MAPT (0.44) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL29033272 0.84 CYP1A2 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-20110144336-A1 Method for Preparation of Piperazindione Derivatives BASF SE (DE) 2011-06-16 US disclosed
EP-2318379-A1 METHOD FOR PREPARATION OF PIPERAZINDIONE DERIVATES BASF SE (DE) 2011-05-11 EP disclosed
WO-2010018067-A1 METHOD FOR PREPARATION OF PIPERAZINDIONE DERIVATES BASF SE (DE) 2010-02-18 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-20110144336-A1 Method for Preparation of Piperazindione Derivatives H1-0, H1-3, H1-2 MEN1 3219/4885KMT2A 1804/4885CTDSP1 981/4885

“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.