SCHEMBL4131969

SCHEMBL4131969

O=C(O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cnc3cnccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.44
DCUN1D1 Q96GG9 7/20 0.44
KCNH2 Q12809 8/20 0.42
LMNA P02545 3/20 0.40
THRB P10828 2/20 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
SCHEMBL4128959 0.94 UBE2M (0.44) UBE2MDCUN1D1KCNH2LMNATHRB
SCHEMBL4136898 0.91 KCNH2 (0.36) UBE2MDCUN1D1KCNH2LMNA
SCHEMBL5040115 0.90 UBE2M (0.45) UBE2MDCUN1D1KCNH2LMNATHRB
SCHEMBL10313916 0.89 UBE2M (0.43) UBE2MDCUN1D1KCNH2LMNA
SCHEMBL12080375 0.88 UBE2M (0.45) UBE2MDCUN1D1KCNH2LMNATHRB
SCHEMBL5046662 0.87 KCNH2 (0.47) UBE2MDCUN1D1KCNH2LMNA
SCHEMBL5040133 0.87 KCNH2 (0.47) UBE2MDCUN1D1KCNH2LMNATHRB
SCHEMBL12079337 0.86 UBE2M (0.45) UBE2MDCUN1D1KCNH2LMNATHRB
SCHEMBL4145544 0.86 UBE2M (0.45) UBE2MDCUN1D1KCNH2LMNATHRB
SCHEMBL4136379 0.86 UBE2M (0.44) UBE2MDCUN1D1KCNH2LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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 (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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 UBE2M 3290/4885DCUN1D1 856/4885KCNH2 248/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 UBE2M 3579/4885DCUN1D1 733/4885KCNH2 260/4885

“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.