SCHEMBL5962815

SCHEMBL5962815

COc1cc(NC(=O)OCC(Cl)(Cl)Cl)c(C(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.56
▸ MAPT P10636 6/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPK1 P28482 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ RCE1 Q9Y256 1/20 0.51
▸ GFER P55789 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL10489881 0.83 KDM4E (0.65) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10489859 0.77 KDM4E (0.60) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL5962764 0.76 LTB4R (0.47) KDM4EKMT2AALDH1A1HPGDNPSR1
SCHEMBL5962893 0.76 PTPRC (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL18609687 0.76 KMT2A (0.63) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL13594815 0.75 ROCK2 (0.42) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL4408525 0.75 ROCK2 (0.42) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8541790 0.75 KDM4E (0.65) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL26714331 0.74 KDM4E (0.35) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL7835188 0.74 KDM4E (0.48) KDM4EMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 — — US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 — — 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 (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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 KDM4E 2997/4885MAPT 2734/4885MEN1 3894/4885

“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.

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