SCHEMBL3375727

SCHEMBL3375727

CCOC(=O)C(Oc1cccc2c1ccn2C(=O)OCc1ccccc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ NR5A1 Q13285 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RORA P35398 3/20 0.43
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ RCOR1 Q9UKL0 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ GAA P10253 1/20 0.35

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
SCHEMBL13003011 0.83 NR5A1 (0.41) KDM4ENR5A1MAPTRORAL3MBTL1
SCHEMBL29015481 0.83 HTR6 (0.46) KDM4ELMNAMEN1KMT2AKDM1A
SCHEMBL13309267 0.80 NPC1 (0.48) L3MBTL1MEN1KMT2AKDM1AMAOA
SCHEMBL4231904 0.77 TACR3 (0.46) LMNAL3MBTL1MEN1KMT2AKDM1A
SCHEMBL3375069 0.76 TDP1 (0.47) LMNAL3MBTL1MEN1KMT2AKDM1A
SCHEMBL3376524 0.76 KDM1A (0.37) LMNAMEN1RECQLKMT2AKDM1A
SCHEMBL2116949 0.76 KDM4E (0.48) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL30772188 0.75 KMT2A (0.41) LMNAL3MBTL1MEN1KMT2AKDM1A
SCHEMBL7861325 0.73 L3MBTL1 (0.57) KDM4EMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL4235703 0.73 P2RX4 (0.40) L3MBTL1MEN1KMT2AKDM1AMAOA

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
EP-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 — — EP disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 — — US disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 — — US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 — — US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 — — US disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 — — 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-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses SLC18A3, SLC18A1, SLC18A2 KDM4E 3218/4885NR5A1 4580/4885MAPT 2542/4885

“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.

Send feedback