SCHEMBL3189182

SCHEMBL3189182

COC(=O)c1c[nH]cn1.O=C(O)c1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 3/20 0.36
BRAF P15056 1/20 0.34
HDAC1 Q13547 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP2K1 Q02750 1/20 0.34
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
KMT2A Q03164 1/20 0.32
NR4A2 P43354 1/20 0.31
AXL P30530 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
4-Imidazolecarboxylic Acid SCHEMBL13733596 0.82 KDM4E (0.45) KDM4EALDH1A1NPC1RAB9AMAPK1
SCHEMBL69204 0.82
SCHEMBL262815 0.75
Trifluoroacetic Acid SCHEMBL30271697 0.75 MAPK1 (0.40) KDM4EALDH1A1NPC1RAB9AMAPK1
Biphenyl SCHEMBL27647991 0.75 AXL (0.48) ALDH1A1NPC1RAB9AMAPK1NR4A2
Methyl Alcohol SCHEMBL27647148 0.75 NPC1 (0.52) KDM4EALDH1A1NPC1RAB9ABRAF
SCHEMBL41312 0.74
Hydrochloric Acid SCHEMBL10511789 0.73
Phosphine SCHEMBL14798918 0.73
Bromide SCHEMBL31019391 0.73

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-7666893-B2 Method for treatment of neurodegenerative disorders MEDDEV INC. (US) 2010-02-23 US disclosed
US-20070276021-A1 Method for treatment of neurodegenerative disorders MEDDEV INC. 2007-11-29 US disclosed
EP-1859800-A1 Medicament comprising alkyl esters of imidazole carboxylic acid for the treatment of neurodegenerative disorders Delack, Elaine A. (US) 2007-11-28 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-20070276021-A1 Method for treatment of neurodegenerative disorders PMP22, OTC, IPO4 KDM4E 1415/4885ALDH1A1 2332/4885NPC1 412/4885

“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.