SCHEMBL5889536

SCHEMBL5889536

CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCN)n(CCC(C)C)c3)cc2)cc1C(=O)NCCN

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 3/20 0.41
NAMPT P43490 7/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5889546 0.88 HRAS (0.42) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5889526 0.87 HRAS (0.53) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6489771 0.85 HRAS (0.47) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6495181 0.84 HRAS (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6486747 0.84 HRAS (0.46) MEN1KMT2A
SCHEMBL5889825 0.84 HRAS (0.43) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5889659 0.84 HRAS (0.41) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5889791 0.82 MEN1 (0.38) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5889799 0.82 MEN1 (0.38) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5677699 0.79 HRAS (0.50)

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 10 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
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 TERT 1405/4885MEN1 68/4885KMT2A 4404/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 TERT 1405/4885MEN1 68/4885KMT2A 4404/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 TERT 1056/4885MEN1 2291/4885KMT2A 3834/4885

“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.