SCHEMBL3149134

SCHEMBL3149134

CC1(C)OC[C@@H](COc2cc(Cl)nnc2Cl)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
KCNJ5 P48544 2/20 0.38
KCNJ3 P48549 2/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
MAPK14 Q16539 7/20 0.36
F2RL3 Q96RI0 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20839815 1.00 CA2 (0.40) CA2KCNJ5KCNJ3CCNKCDK12
SCHEMBL4554216 0.94 KCNJ5 (0.41) CA2KCNJ5KCNJ3CCNKCDK12
SCHEMBL3146503 0.80 ALDH1A1 (0.44) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL3146505 0.80 ALDH1A1 (0.44) ALDH1A1MEN1TP53CYP3A4MAPT
SCHEMBL25131168 0.80 KCNJ5 (0.41) CA2KCNJ5KCNJ3CCNKCDK12
SCHEMBL23773793 0.78 CA2 (0.43) CA2KCNJ5KCNJ3CCNKCDK12
SCHEMBL11156125 0.77 CHRNB2 (0.43) CA2KCNJ5KCNJ3CCNKCDK12
SCHEMBL11547597 0.77 CA2 (0.42) CA2KCNJ5KCNJ3CCNKCDK12
SCHEMBL2503804 0.74 CA2 (0.40) CA2KCNJ5KCNJ3CCNKCDK12
SCHEMBL2503801 0.74 CA2 (0.40) CA2KCNJ5KCNJ3CCNKCDK12

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 8 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
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US 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
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO 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 (3 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 CA2 2149/4885KCNJ5 4671/4885KCNJ3 4768/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB CA2 3786/4885KCNJ5 1728/4885KCNJ3 1316/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 CA2 2527/4885KCNJ5 4369/4885KCNJ3 4657/4885

“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.