SCHEMBL6493766

SCHEMBL6493766

COc1cc(OC)cc(N2CCN(C(=O)c3cn(Cc4cscn4)cc3-c3ccccc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CCKAR P32238 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC6A7 Q99884 1/20 0.38

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
SCHEMBL5762896 0.83 LMNA (0.47) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL5760134 0.81 LMNA (0.46) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL6494877 0.81 LMNA (0.46) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL6503881 0.80 ALDH1A1 (0.48) KDM4EALDH1A1LMNAGAAFNTA
SCHEMBL6494998 0.78 DRD2 (0.45) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL6504267 0.77 ALDH1A1 (0.48) KDM4EALDH1A1LMNAGAAMAPT
Hydrochloric Acid SCHEMBL6502821 0.76 ALDH1A1 (0.48) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL5762506 0.76 KDM4E (0.48) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL5761170 0.76 KDM4E (0.41) KDM4EALDH1A1LMNAGAAFNTA
SCHEMBL6497029 0.72 ALDH1A1 (0.51) KDM4EALDH1A1LMNAGAAMAPT

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 KDM4E 1246/4885ALDH1A1 240/4885LMNA 3596/4885

“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.