SCHEMBL6323639

SCHEMBL6323639

O=C(O)c1cc2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
PDPK1 O15530 1/20 0.73
HPGD P15428 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73
APEX1 P27695 1/20 0.73
CYP2C19 P33261 1/20 0.73
HSD17B10 Q99714 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
RXFP1 Q9HBX9 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NHERF1 O14745 2/20 0.56
APP P05067 1/20 0.56
MLLT1 Q03111 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL14586773 0.88 RXFP1 (0.67) KDM4EALDH1A1LMNAPDPK1HPGD
SCHEMBL2735819 0.87 NPC1 (0.62) KDM4EALDH1A1LMNAPDPK1HPGD
SCHEMBL2735818 0.86 NPC1 (0.71) KDM4EALDH1A1LMNAPDPK1HPGD
5-Fluoroindole-2-Carboxylic Acid SCHEMBL209759 0.85 KDM4E (1.00) KDM4EALDH1A1LMNAPDPK1HPGD
SCHEMBL7533561 0.85 NPC1 (0.74) KDM4ELMNAHPGDHSD17B10NPC1
SCHEMBL8205048 0.85 NHERF1 (0.64) KDM4EALDH1A1LMNAPDPK1HPGD
SCHEMBL8205586 0.85 NHERF1 (0.68) KDM4EALDH1A1LMNAPDPK1HPGD
SCHEMBL2735815 0.85 RXFP1 (0.70) KDM4EALDH1A1LMNAPDPK1HPGD
SCHEMBL2735807 0.85 NPC1 (0.62) KDM4EALDH1A1LMNAPDPK1HPGD
5-Fluoroindole-2-Carboxylic Acid SCHEMBL213473 0.84 KDM4E (0.96) KDM4EALDH1A1LMNAPDPK1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250835-A1 Novel tumor-selective chemotherapeutic agents WANG YUQIANG 2005-11-10 US disclosed
WO-2005103040-A1 CC-1065 ANALOGUES FOR USE AGAINST CANCERS PANORAMA RESEARCH INC. (US) 2005-11-03 WO disclosed
US-20050239864-A1 Novel tumor-selective chemotherapeutic agents WANG YUQIANG 2005-10-27 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 (2 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-20050239864-A1 Novel tumor-selective chemotherapeutic agents ALB, ANXA5, FABP5 KDM4E 4058/4885ALDH1A1 2665/4885LMNA 4329/4885
US-20050250835-A1 Novel tumor-selective chemotherapeutic agents ALB, ANXA5, FABP5 KDM4E 4058/4885ALDH1A1 2665/4885LMNA 4329/4885

“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.