SCHEMBL17274754

SCHEMBL17274754

[Ru].c1ccc2nc3c4ncccc4c4ncccc4c3nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HSP90AA1 P07900 2/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
DHFR P00374 1/20 0.46
CCR1 P32246 3/20 0.44
CCR8 P51685 3/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GMNN O75496 1/20 0.43
MMP2 P08253 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL16635990 0.98 L3MBTL1 (0.50) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL351170 0.98 L3MBTL1 (0.50) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL30565589 0.98 L3MBTL1 (0.50) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL5798270 0.96 CYP3A4 (0.48) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL6693951 0.96 L3MBTL1 (0.52) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL6649771 0.94 CYP3A4 (0.47) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL166826 0.94 L3MBTL1 (0.54) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL30185055 0.94 L3MBTL1 (0.54) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL29390114 0.94 L3MBTL1 (0.54) CYP3A4L3MBTL1HSP90AA1NPC1LMNA
SCHEMBL30185058 0.94 L3MBTL1 (0.54) CYP3A4L3MBTL1HSP90AA1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969759-B2 Duplex-selective organometallic DNA intercalators NORTHWESTERN UNIVERSITY (US) 2018-05-15 US disclosed
US-20170082614-A1 DUPLEX-SELECTIVE ORGANOMETALLIC DNA INTERCALATORS NORTHWESTERN UNIVERSITY 2017-03-23 US disclosed
WO-2015179736-A1 DUPLEX-SELECTIVE ORGANOMETALLIC DNA INTERCALATORS NORTHWESTERN UNIVERSITY (US) 2015-11-26 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-20170082614-A1 DUPLEX-SELECTIVE ORGANOMETALLIC DNA INTERCALATORS POLRMT, POLM, SSBP1 CYP3A4 2757/4885L3MBTL1 186/4885HSP90AA1 2009/4885

“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.