SCHEMBL5889524

SCHEMBL5889524

CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCC(=N)N)n(CCC(C)C)c3)nc2)cc1C(=O)NCCCC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRAS P01112 12/20 0.42
ESR1 P03372 12/20 0.42
ESR2 Q92731 12/20 0.42
TOP1 P11387 2/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
NAMPT P43490 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL5889688 0.97 HRAS (0.41) HRASESR1ESR2TOP1POLB
SCHEMBL5889858 0.92 HRAS (0.45) HRASESR1ESR2TOP1POLB
SCHEMBL6489771 0.91 HRAS (0.47) HRASESR1ESR2TOP1POLB
SCHEMBL6488583 0.89 HRAS (0.44) HRASESR1ESR2TOP1POLB
SCHEMBL6486747 0.88 HRAS (0.46) HRASESR1ESR2TOP1POLB
SCHEMBL5889513 0.86 NAMPT (0.38) HRASESR1ESR2TOP1POLB
SCHEMBL5889526 0.85 HRAS (0.53) HRASESR1ESR2TOP1POLB
SCHEMBL5889542 0.85 HRAS (0.49) HRASESR1ESR2TOP1POLB
SCHEMBL5889573 0.84 HRAS (0.46) HRASESR1ESR2TOP1POLB
SCHEMBL5889461 0.84 HRAS (0.46) HRASESR1ESR2TOP1POLB

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 disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRAS 402/4885ESR1 4097/4885ESR2 3377/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRAS 402/4885ESR1 4097/4885ESR2 3377/4885

“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.