SCHEMBL6502224

SCHEMBL6502224

COc1cc(OC)cc(N2CCN(C(=O)c3[nH]c(S(C)(=O)=O)nc3-c3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
CCKAR P32238 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
SMO Q99835 2/20 0.41

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
SCHEMBL1381055 0.86 LMNA (0.52) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL1381656 0.82 TAAR1 (0.57) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL6503239 0.79 KDM4E (0.56) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL1384296 0.74 LMNA (0.50) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL1380918 0.74 LMNA (0.50) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL1381703 0.74 TP53 (0.53) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL5750395 0.74 SMN1; SMN2 (0.50) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL1380792 0.74 KDM4E (0.47) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL1381201 0.73 ALDH1A1 (0.46) LMNATP53CCKARALDH1A1KDM4E
SCHEMBL1381524 0.73 POLB (0.52) LMNATP53CCKARALDH1A1KDM4E

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 LMNA 3596/4885TP53 19/4885CCKAR 3514/4885

“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.