SCHEMBL2235600

SCHEMBL2235600

COc1cc(C(=O)O)c(N)cc1OCCCOc1cc(N)c(C(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 2/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
NPC1 O15118 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
C5 P01031 1/20 0.42
PRSS1 P07477 2/20 0.42
MYC P01106 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL18089590 0.95 KDM4E (0.54) KDM4EKMT2ALCKFYNNPC1
SCHEMBL4377156 0.92 KDM4E (0.51) KDM4EKMT2ALCKFYNNPC1
SCHEMBL3324427 0.92 KDM4E (0.51) KDM4EKMT2ALCKFYNNPC1
SCHEMBL13257727 0.92 KDM4E (0.51) KDM4EKMT2ALCKFYNNPC1
SCHEMBL13299069 0.92 KDM4E (0.51) KDM4EKMT2ALCKFYNNPC1
SCHEMBL23489015 0.91 KDM4E (0.53) KDM4EKMT2ALCKFYNALDH1A1
SCHEMBL29597889 0.91 KDM4E (0.53) KDM4EKMT2ALCKFYNNPC1
SCHEMBL2330272 0.91 KDM4E (0.53) KDM4EKMT2ALCKFYNNPC1
SCHEMBL3842703 0.89 KDM4E (0.51) KDM4EKMT2ALCKFYNNPC1
SCHEMBL19426390 0.89 KDM4E (0.48) KDM4ELCKFYNNPC1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487092-B2 Pyrrolobenzodiazepines SPIROGEN DEVELOPMENTS SARL (CH) 2013-07-16 US disclosed
US-8487092-B2 Pyrrolobenzodiazepines SPIROGEN DEVELOPMENTS SARL (CH) 2013-07-16 US disclosed
EP-2350098-B1 PYRROLOBENZODIAZEPINES SPIROGEN SARL (CH) 2013-05-15 EP disclosed
EP-2350098-B1 PYRROLOBENZODIAZEPINES SPIROGEN SARL (CH) 2013-05-15 EP disclosed
US-20110201803-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-08-18 US disclosed
US-20110201803-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-08-18 US disclosed
EP-2350098-A1 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2011-08-03 EP disclosed
WO-2010043877-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2010-04-22 WO disclosed
WO-2010043877-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2010-04-22 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-20110201803-A1 PYRROLOBENZODIAZEPINES HCRTR2, HCRTR1, CBR3 KDM4E 3339/4885KMT2A 1140/4885LCK 3232/4885

“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.