SCHEMBL5889568

SCHEMBL5889568

CCCCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC(=N)N)n(CCCC)c3)cc2)cc1C(=O)NCC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRAS P01112 7/20 0.41
ESR1 P03372 7/20 0.41
ESR2 Q92731 7/20 0.41
TOP1 P11387 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.41
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL5889626 0.88 ALDH1A1 (0.37) HRASESR1ESR2TOP1MAPT
SCHEMBL5889656 0.88 ALDH1A1 (0.37) HRASESR1ESR2TOP1MAPT
SCHEMBL5889569 0.83 ALDH1A1 (0.38) HRASESR1ESR2TOP1MAPT
SCHEMBL7177291 0.80 HRAS (0.39) HRASESR1ESR2TOP1MAPT
SCHEMBL5889627 0.80 ALDH1A1 (0.37) MAPTKDM4ETRPV1ALDH1A1MAPK1
SCHEMBL5889657 0.78 ALDH1A1 (0.37) MAPTKDM4ETRPV1ALDH1A1MAPK1
SCHEMBL6489771 0.76 HRAS (0.47) HRASESR1ESR2TOP1MAPT
SCHEMBL5889526 0.75 HRAS (0.53) HRASESR1ESR2TOP1MAPT
SCHEMBL5889849 0.75 HRAS (0.53) HRASESR1ESR2TOP1MAPT
SCHEMBL6486747 0.75 HRAS (0.46) HRASESR1ESR2TOP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US claimed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US claimed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO claimed
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO 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-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HRAS 1040/4885ESR1 4541/4885ESR2 4085/4885

“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.