SCHEMBL10189350

SCHEMBL10189350

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)N(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.51
STS P08842 1/20 0.50
CYP2C19 P33261 1/20 0.50
BACE1 P56817 1/20 0.49
ACHE P22303 1/20 0.49
GPR119 Q8TDV5 1/20 0.49
P2RX7 Q99572 3/20 0.48
MAPT P10636 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL13100989 0.96 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1842426 0.93 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16847349 0.89 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Formic Acid SCHEMBL31505447 0.88 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL420503 0.88 CTSK (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4924522 0.88 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29132198 0.87 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29132192 0.85 FNTA (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL24326113 0.84 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30121349 0.84 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 US disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 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 (2 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-20090299059-A1 Novel Compound Having Heterocyclic Ring NR0B2, NR2C2, NR0B1 MEN1 3267/4885KMT2A 3329/4885NPSR1 207/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 MEN1 3897/4885KMT2A 3553/4885NPSR1 447/4885

“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.