SCHEMBL3144953

SCHEMBL3144953

O=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CC2(O)Cn3c(=O)ccc4ccc(Br)c2c43)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.45
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33

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
SCHEMBL3215282 0.90 KCNH2 (0.40) KCNH2UBE2MDCUN1D1
SCHEMBL3139141 0.89 KCNH2 (0.45) KCNH2UBE2MDCUN1D1
SCHEMBL2939431 0.82 KCNH2 (0.54) KCNH2
SCHEMBL3215289 0.82 KCNH2 (0.38) KCNH2
SCHEMBL3154490 0.81 KCNH2 (0.51) KCNH2
SCHEMBL3209294 0.80 KCNH2 (0.40) KCNH2
SCHEMBL3148962 0.76 KCNH2 (0.68) KCNH2
Hydrochloric Acid SCHEMBL3139228 0.76 KCNH2 (0.67) KCNH2
SCHEMBL5626991 0.76 KCNH2 (0.55) KCNH2
SCHEMBL3110338 0.75 KCNH2 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US 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-20080221110-A1 Compounds NRDC, NISCH, MRPL21 KCNH2 3013/4885UBE2M 375/4885DCUN1D1 2542/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 KCNH2 3105/4885UBE2M 302/4885DCUN1D1 1545/4885

“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.