SCHEMBL5042237

SCHEMBL5042237

CNC(=O)COc1cccc2c1ccc(=O)n2CCN1CCC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 4/20 0.42
UBE2M P61081 6/20 0.41
DCUN1D1 Q96GG9 6/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 2/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL2800232 0.91 ALDH1A1 (0.40) ALDH1A1LMNAUBE2MDCUN1D1MAPT
SCHEMBL2800240 0.90 ALDH1A1 (0.40) ALDH1A1LMNAUBE2MDCUN1D1MAPT
SCHEMBL5042229 0.89 LMNA (0.49) LMNAUBE2MDCUN1D1THRBOPRM1
SCHEMBL2794648 0.89 UBE2M (0.45) LMNAUBE2MDCUN1D1THRBOPRM1
SCHEMBL2797153 0.87 KCNH2 (0.47) ALDH1A1MAPTKMT2AMCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL2796186 0.86 KCNH2 (0.46) ALDH1A1MAPTKMT2AMCHR1SMN1; SMN2
SCHEMBL5040077 0.86 LMNA (0.46) LMNAUBE2MDCUN1D1THRB
SCHEMBL5044720 0.85 UBE2M (0.44) ALDH1A1LMNAUBE2MDCUN1D1SMN1; SMN2
SCHEMBL2797871 0.85 LMNA (0.40) ALDH1A1LMNAUBE2MDCUN1D1MAPT
SCHEMBL2799801 0.84 UBE2M (0.45) LMNAUBE2MDCUN1D1THRBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 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 (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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 ALDH1A1 3142/4885LMNA 2947/4885UBE2M 826/4885

“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.