SCHEMBL1122478

SCHEMBL1122478

COc1ccc2c(c1OC)C(=O)N1CC(=O)C[C@H]1C(=O)N2COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.35
MAPT P10636 8/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
HPGD P15428 4/20 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
SCHEMBL4953233 0.83 KDM4E (0.35) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL1121807 0.83 KDM4E (0.35) ALDH1A1MAPTHTTSMN1; SMN2POLB
SCHEMBL12856844 0.82 EGFR (0.33) ALDH1A1EGFRIGF1RSRCFLT4
SCHEMBL1121742 0.79
SCHEMBL5962742 0.79
SCHEMBL18063598 0.79 ACHE (0.33) EGFRIGF1RSRCFLT4KDR
SCHEMBL18085785 0.79 ACHE (0.33) EGFRIGF1RSRCFLT4KDR
SCHEMBL5926091 0.78 PDE4B (0.33) ALDH1A1EGFRIGF1RSRCFLT4
SCHEMBL13422238 0.78 PDE4B (0.33) ALDH1A1EGFRIGF1RSRCFLT4
SCHEMBL12354836 0.77 PDE4B (0.36) ALDH1A1EGFRIGF1RSRCFLT4

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-1575955-B1 PYRROLOBENZODIAZEPINES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LTD (GB) 2011-02-09 EP disclosed
US-7407951-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-08-05 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-20060128693-A1 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2006-06-15 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 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 (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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 ALDH1A1 4469/4885MAPT 2734/4885HTT 955/4885
US-20060128693-A1 Pyrrolobenzodiazepines CYP2C19, CYP3A7, CYP2E1 ALDH1A1 1206/4885MAPT 1403/4885HTT 2528/4885

“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.