SCHEMBL5042225

SCHEMBL5042225

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 9/20 0.43
DCUN1D1 Q96GG9 9/20 0.43
TAF1 P21675 1/20 0.42
LMNA P02545 5/20 0.42
THRB P10828 2/20 0.41
TP53 P04637 3/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
OPRM1 P35372 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
SCHEMBL5046667 0.92 UBE2M (0.44) UBE2MDCUN1D1TAF1LMNATHRB
SCHEMBL2796659 0.90 TAF1 (0.40) UBE2MDCUN1D1TAF1LMNATHRB
SCHEMBL5046677 0.89 LMNA (0.45) UBE2MDCUN1D1TAF1LMNATHRB
SCHEMBL2796663 0.88 TAF1 (0.39) UBE2MDCUN1D1TAF1LMNATHRB
SCHEMBL12000101 0.87 TAF1 (0.45) TAF1LMNAHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL2799791 0.86 TAF1 (0.44) TAF1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5039774 0.85 UBE2M (0.46) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL2800827 0.85 LMNA (0.47) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL2799010 0.83 UBE2M (0.40) UBE2MDCUN1D1LMNATHRBTP53
SCHEMBL5044720 0.82 UBE2M (0.44) UBE2MDCUN1D1LMNATHRBTP53

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 UBE2M 826/4885DCUN1D1 1635/4885TAF1 2812/4885

“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.