SCHEMBL6497029

SCHEMBL6497029

COc1cc(OC)cc(N2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HPGD P15428 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
SCHEMBL6504267 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL6502821 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL5762506 0.82 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL5760134 0.81 LMNA (0.46) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL1381669 0.81 LMNA (0.49) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL5762896 0.81 LMNA (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL5786538 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL5788028 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL1381713 0.81 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL6494942 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAGAA

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ALDH1A1 240/4885SMN1; SMN2 4793/4885KDM4E 1246/4885

“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.