SCHEMBL5889503

SCHEMBL5889503

N=C(N)CCNC(=O)c1cc(N(C(=O)c2ccc(C(N)=O)cc2[N+](=O)[O-])c2cc(C(=O)NCCC(=N)N)n(CC3CC3)c2)cn1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
CTPS1 P17812 1/20 0.36
MAPT P10636 7/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 3/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRAS P01112 1/20 0.33
ESR1 P03372 1/20 0.33
TOP1 P11387 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 1/20 0.33
PARP1 P09874 1/20 0.32
HIF1A Q16665 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
SCHEMBL6491374 0.86 HRAS (0.37) POLBMAPTKDM4EHRASESR1
SCHEMBL5889504 0.72 HRAS (0.52) POLBMAPTKDM4EHRASESR1
SCHEMBL6502640 0.69 MEN1 (0.35) POLBMAPTALDH1A1HTTLMNA
SCHEMBL5889617 0.67 HRAS (0.50) POLBMAPTKDM4EHRASESR1
SCHEMBL5889463 0.67 HRAS (0.46) POLBMAPTALDH1A1KDM4EHRAS
SCHEMBL5889611 0.65 HRAS (0.49) POLBMAPTKDM4EHRASESR1
SCHEMBL5889500 0.64 HRAS (0.31) POLBMAPTKDM4EHRASESR1
SCHEMBL5680577 0.64 HRAS (0.44) POLBMAPTKDM4EHRASESR1
SCHEMBL5896846 0.64 TOP1 (0.45) POLBMAPTKDM4EHRASESR1
SCHEMBL5889829 0.62 HRAS (0.48) POLBMAPTKDM4EHRASESR1

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 9 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
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
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP 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 (3 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 POLB 2947/4885CTPS1 511/4885MAPT 4265/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 POLB 2947/4885CTPS1 511/4885MAPT 4265/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 POLB 1973/4885CTPS1 2054/4885MAPT 3578/4885

“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.