SCHEMBL5889802

SCHEMBL5889802

CCN(C(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)N(CC)C(=NC)NC)n(CCC(C)C)c3)cc2)cn1CCC(C)C)C(=NC)NC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 2/20 0.33
NR1H4 Q96RI1 1/20 0.32
CNR2 P34972 3/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
RPS6KA2 Q15349 1/20 0.31

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
SCHEMBL5889538 0.81 RAB9A (0.39) MEN1KMT2ANAMPTALDH1A1HPGD
SCHEMBL5889544 0.78 NAMPT (0.36) MEN1KMT2ANAMPTALDH1A1HPGD
SCHEMBL5889791 0.78 MEN1 (0.38) MEN1KMT2ANAMPTALDH1A1HPGD
SCHEMBL5889799 0.78 MEN1 (0.38) MEN1KMT2ANAMPTALDH1A1HPGD
SCHEMBL5889470 0.72 RPS6KA2 (0.42) MEN1KMT2ANAMPTALDH1A1LMNA
SCHEMBL5889825 0.71 HRAS (0.43) MEN1KMT2ANAMPTALDH1A1LMNA
SCHEMBL5889536 0.71 TERT (0.42) MEN1KMT2ANAMPTALDH1A1LMNA
SCHEMBL5889526 0.68 HRAS (0.53) MEN1KMT2ANAMPTLMNASMN1; SMN2
SCHEMBL5889659 0.67 HRAS (0.41) MEN1KMT2ANAMPTALDH1A1LMNA
SCHEMBL5889657 0.67 ALDH1A1 (0.37) MEN1KMT2AALDH1A1HPGDLMNA

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
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
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 (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 MEN1 68/4885KMT2A 4404/4885NAMPT 679/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 MEN1 68/4885KMT2A 4404/4885NAMPT 679/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 MEN1 2291/4885KMT2A 3834/4885NAMPT 3092/4885

“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.