SCHEMBL6227669

SCHEMBL6227669

CCOc1ccc(-n2c(C(C)N3CCN(C(=O)O)CC3)nc3ccccc3c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDAC2 P45880 1/20 0.62
SLC7A11 Q9UPY5 1/20 0.62
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
CXCR3 P49682 10/20 0.53
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.47

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
SCHEMBL27256091 0.91 SLC7A11 (0.73) VDAC2SLC7A11KCNH2HRH3CXCR3
SCHEMBL13998015 0.83 SLC7A11 (0.79) VDAC2SLC7A11KCNH2HRH3KMT2A
SCHEMBL13633591 0.83 SLC7A11 (0.64) VDAC2SLC7A11KCNH2HRH3CXCR3
SCHEMBL13633614 0.81 VDAC2 (0.57) VDAC2SLC7A11KCNH2HRH3CXCR3
SCHEMBL13633653 0.81 VDAC2 (0.60) VDAC2SLC7A11KCNH2HRH3CXCR3
SCHEMBL12659722 0.80 MAPT (0.61) KCNH2HRH3CXCR3KMT2AMAPT
SCHEMBL27256099 0.80 VDAC2 (0.55) VDAC2SLC7A11KCNH2HRH3CXCR3
SCHEMBL13633731 0.79 SLC7A11 (0.64) VDAC2SLC7A11KCNH2HRH3CXCR3
SCHEMBL13633718 0.79 SLC7A11 (0.89) VDAC2SLC7A11LMNAALDH1A1
SCHEMBL4462685 0.79 VDAC2 (0.73) VDAC2SLC7A11KMT2ALMNAALDH1A1

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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 (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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 VDAC2 1593/4885SLC7A11 452/4885KCNH2 3103/4885

“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.