SCHEMBL5889614

SCHEMBL5889614

CC(C)CCn1cc(NC(=O)c2cc(C(=O)Nc3cc(C(=O)NCCC(=N)NC4CCCC4)n(CCC(C)C)c3)[nH]n2)cc1C(=O)NCCC(=N)NC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.35
PLK1 P53350 1/20 0.35
HRAS P01112 6/20 0.35
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
TOP1 P11387 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
KDM5B Q9UGL1 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
KDM5A P29375 1/20 0.32
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL5889477 0.83 HRAS (0.44) ALPLHRASESR1ESR2TOP1
SCHEMBL6499327 0.82 HRAS (0.44) ALPLHRASESR1ESR2TOP1
SCHEMBL7252110 0.76 GAA (0.38) RAB9ASMN1; SMN2GAANPC1
SCHEMBL5889659 0.75 HRAS (0.41) HRASESR1ESR2TOP1RAB9A
SCHEMBL5889829 0.74 HRAS (0.48) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889825 0.73 HRAS (0.43) HRASESR1ESR2TOP1RAB9A
SCHEMBL5889501 0.72 HRAS (0.51) HRASESR1ESR2TOP1SMN1; SMN2
SCHEMBL5889631 0.71 HRAS (0.40) HRASESR1ESR2TOP1RAB9A
SCHEMBL5889513 0.71 NAMPT (0.38) HRASESR1ESR2TOP1RAB9A
SCHEMBL5889526 0.70 HRAS (0.53) HRASESR1ESR2TOP1RAB9A

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 7 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 disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 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
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (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-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 ALPL 3419/4885PLK1 356/4885HRAS 402/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 ALPL 2928/4885PLK1 2275/4885HRAS 1040/4885

“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.