SCHEMBL2797208

SCHEMBL2797208

CCC(=O)c1cc(OC)cc2c1ccc(=O)n2CCN1CCC(N(Cc2ccc3c(c2)OCCO3)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.39
UBE2M P61081 5/20 0.37
DCUN1D1 Q96GG9 5/20 0.37
BMP1 P13497 1/20 0.37
OPRM1 P35372 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
LMNA P02545 2/20 0.36
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2794724 0.93 KCNH2 (0.40) KCNH2UBE2MDCUN1D1BMP1OPRM1
SCHEMBL2797575 0.93 KCNH2 (0.41) KCNH2UBE2MDCUN1D1NR1H4LMNA
SCHEMBL12002244 0.92 KCNH2 (0.38) KCNH2UBE2MDCUN1D1BMP1OPRM1
SCHEMBL2800292 0.92 KCNH2 (0.38) KCNH2UBE2MDCUN1D1BMP1OPRM1
SCHEMBL12000215 0.92 UBE2M (0.38) KCNH2UBE2MDCUN1D1NR1H4LMNA
SCHEMBL2800691 0.91 KCNH2 (0.39) KCNH2UBE2MDCUN1D1BMP1OPRM1
SCHEMBL13235062 0.91 KCNH2 (0.40) KCNH2UBE2MDCUN1D1LMNAHTR1A
SCHEMBL5036632 0.91 KCNH2 (0.43) KCNH2UBE2MDCUN1D1OPRM1LMNA
SCHEMBL2799184 0.90 HTR1A (0.42) KCNH2UBE2MDCUN1D1BMP1LMNA
SCHEMBL12002155 0.89 KCNH2 (0.40) KCNH2UBE2MDCUN1D1BMP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907001-B2 Use of a pretreated precipitated silica as a reinforcing filler for silicon elastomer and the curable silicone elastomer compositions thus obtained by cold mixing RHODIA CHIMIE (FR) 2014-12-09 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20100168276-A1 Use of a pretreated precipitated silica as a reinforcing filler for silicon elastomer and the curable silicone elastomer compositions thus obtained by cold mixing RHODIA CHIMIE (FR) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20070276078-A1 Use Of A Pretreated Precipitated Silica As A Reinforcing Filler For Silicone Elastomer And The Curable Silicone Elastomer Compositions Thus Obtained By Cold Mixing RHODIA CHIMIE (FR) 2007-11-29 US disclosed
WO-2005075551-A1 USE OF A PRETREATED PRECIPITATED SILICA AS A REINFORCING FILLER FOR SILICONE ELASTOMER AND THE CURABLE SILICONE ELASTOMER COMPOSITIONS THUS OBTAINED BY COLD MIXING RHODIA CHIMIE (FR) 2005-08-18 WO disclosed
EP-1559744-A1 Use of a pretreated precipitated silica as a reinforcing filler for silicone elastomer and curable compositions thus obtained RHODIA CHIMIE (FR) 2005-08-03 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KCNH2 578/4885UBE2M 2433/4885DCUN1D1 1317/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885UBE2M 826/4885DCUN1D1 1635/4885

“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.