SCHEMBL6001728

SCHEMBL6001728

COc1ccc(Oc2cc(-c3ccncc3)nc3ccccc23)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
HPGD P15428 3/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
ACP1 P24666 6/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.47
ACACA Q13085 2/20 0.46
MAPK1 P28482 2/20 0.45
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL6001926 0.82 ACACA (0.60) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL6001875 0.82 MEN1 (0.49) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL6001924 0.82 KDM4E (0.45) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL6001437 0.81 KDM4E (0.71) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL5801453 0.78 ACP1 (0.64) MAPTSMN1; SMN2ACP1MEN1KMT2A
SCHEMBL6001934 0.77 KDM4E (0.64) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL6001899 0.75 MAPT (0.55) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL955714 0.74 SMN1; SMN2 (1.00) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL6534368 0.74 ACACA (0.60) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL6001956 0.73 MEN1 (0.43) KDM4EHPGDLMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG KDM4E 2893/4885HPGD 189/4885LMNA 706/4885

“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.