SCHEMBL5046677

SCHEMBL5046677

COC(=O)c1cc(=O)n(CCN2CCC(N(Cc3ccc4c(c3)OCCO4)C(=O)O)CC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
UBE2M P61081 6/20 0.44
DCUN1D1 Q96GG9 6/20 0.44
THRB P10828 1/20 0.42
TP53 P04637 2/20 0.41
TAF1 P21675 1/20 0.41
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3A P46098 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL5044720 0.92 UBE2M (0.44) LMNAUBE2MDCUN1D1THRBTP53
SCHEMBL5046667 0.91 UBE2M (0.44) LMNAUBE2MDCUN1D1THRBTP53
SCHEMBL2796318 0.91 LMNA (0.41) LMNAUBE2MDCUN1D1THRBTP53
SCHEMBL12002141 0.90 TAF1 (0.43) LMNATAF1HTR3EHTR3BHTR3A
SCHEMBL5042225 0.89 UBE2M (0.43) LMNAUBE2MDCUN1D1THRBTP53
SCHEMBL2796321 0.88 HTR3E (0.38) LMNAUBE2MDCUN1D1THRBTP53
SCHEMBL5039774 0.87 UBE2M (0.46) LMNAUBE2MDCUN1D1THRBTP53
SCHEMBL2800827 0.87 LMNA (0.47) LMNAUBE2MDCUN1D1THRBTP53
SCHEMBL12000213 0.86 KCNH2 (0.48) TAF1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2799164 0.85 KCNH2 (0.48) TAF1HTR3EHTR3BHTR3AHTR3D

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 LMNA 2947/4885UBE2M 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.