SCHEMBL14870580

SCHEMBL14870580

COc1ccccc1CNC(=O)/C=C/c1ccc(-n2ccnc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HPGD P15428 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.46
AAK1 Q2M2I8 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL12712438 0.90 KDM4E (0.48) ALDH1A1KDM4EPOLBMAPTDRD2
SCHEMBL1239834 0.90 KDM4E (0.48) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL1239838 0.90 KDM4E (0.48) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14870573 0.90 KDM4E (0.55) ALDH1A1KDM4EPOLBMAPTHPGD
SCHEMBL14870579 0.89 POLB (0.52) ALDH1A1KDM4EMEN1KMT2APOLB
Trifluoroacetic Acid SCHEMBL1239673 0.86 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPTDRD2
Trifluoroacetic Acid SCHEMBL1239677 0.86 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPTDRD2
SCHEMBL2823209 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBMAPTBLM
SCHEMBL2823206 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBMAPTBLM
SCHEMBL14870566 0.84 SMN1; SMN2 (0.53) ALDH1A1KDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 US disclosed
US-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 US 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-20130095068-A1 AGENT FOR TREATING HCV INFECTION EIF2AK2, IRF3, IFNAR1 ALDH1A1 1896/4885KDM4E 4372/4885MEN1 4828/4885

“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.