SCHEMBL6409634

SCHEMBL6409634

COc1cc(OC)cc(N2CCN(C(=O)c3cc4ccccc4n3-c3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 4/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
USP2 O75604 2/20 0.46
NAMPT P43490 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6414599 0.91 KMT2A (0.54) ALDH1A1KDM4EL3MBTL1TSHRLMNA
SCHEMBL5751986 0.81 MEN1 (0.61) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL6411963 0.81 KMT2A (0.61) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL13257660 0.79 ALDH1A1 (0.77) ALDH1A1KDM4EL3MBTL1TSHRLMNA
Hydrochloric Acid SCHEMBL6415511 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1TSHRLMNA
SCHEMBL6416291 0.76 TSHR (0.50) ALDH1A1KDM4ETSHRLMNAKMT2A
SCHEMBL6260057 0.76 KMT2A (0.54) ALDH1A1KDM4EL3MBTL1LMNAKMT2A
SCHEMBL6264113 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1TSHRLMNA
SCHEMBL6503020 0.75 GPBAR1 (0.58) ALDH1A1KDM4EL3MBTL1LMNAKMT2A
SCHEMBL6265709 0.75 KMT2A (0.59) ALDH1A1KDM4EL3MBTL1TSHRLMNA

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 ALDH1A1 1270/4885KDM4E 3143/4885L3MBTL1 2131/4885

“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.