SCHEMBL6408739

SCHEMBL6408739

COc1cc(OC)cc(N2CCN(C(=O)c3c4ccccc4nn3-c3ccccc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6416308 0.87 TSHR (0.50) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL6265507 0.83 KMT2A (0.54) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL5751527 0.82 ALDH1A1 (0.57) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL6882152 0.81 ALDH1A1 (0.59) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL6265709 0.78 KMT2A (0.59) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL6260121 0.77 KMT2A (0.55) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL6263564 0.77 KMT2A (0.55) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL6260057 0.76 KMT2A (0.54) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL6264113 0.76 ALDH1A1 (0.55) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL5853027 0.76 KDM4E (0.59) ALDH1A1KDM4ELMNAGAAHPGD

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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 KMT2A 2804/4885ALDH1A1 1270/4885KDM4E 3143/4885

“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.