SCHEMBL716408

SCHEMBL716408

CCOC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 2/20 0.59
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
MAPT P10636 8/20 0.57
HTT P42858 1/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL1646935 0.86 MAPT (0.67) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL4342510 0.84 KMT2A (0.50) MEN1KMT2ALMNAAPOBEC3AAPOBEC3G
SCHEMBL14679110 0.83 LMNA (0.58) KMT2ALMNAMAPTRAB9ANPC1
SCHEMBL6487280 0.83 MAPT (0.63) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL260968 0.82 MGLL (0.68) KMT2ALMNAMAPTRAB9ANPC1
SCHEMBL2273609 0.81 MAPT (0.56) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3704980 0.81 MAPT (0.68) MEN1KMT2ALMNAAPOBEC3AAPOBEC3G
SCHEMBL11621538 0.81 MAPT (0.81) MEN1KMT2ALMNAAPOBEC3AAPOBEC3G
SCHEMBL12410537 0.81 MEN1 (0.68) MEN1KMT2ALMNAAPOBEC3AAPOBEC3G
SCHEMBL4829895 0.81 MAPT (0.57) MEN1KMT2ALMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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 (3 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885LMNA 3028/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885LMNA 3028/4885
US-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR MEN1 233/4885KMT2A 2159/4885LMNA 2457/4885

“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.