SCHEMBL5889544

SCHEMBL5889544

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
HPGD P15428 1/20 0.33
TOP1 P11387 1/20 0.33
RPS6KA2 Q15349 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
NPC1 O15118 1/20 0.32
ASF1A Q9Y294 1/20 0.32
HTT P42858 1/20 0.32
HRAS P01112 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 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
SCHEMBL5889538 0.84 RAB9A (0.39) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5889802 0.78 MEN1 (0.37) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5889536 0.75 TERT (0.42) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5889559 0.74 HRAS (0.50) RAB9ANPC1HRASESR1ESR2
SCHEMBL5889546 0.74 HRAS (0.42) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5677502 0.74 HRAS (0.37) RAB9ANPC1HRASESR1ESR2
SCHEMBL5889526 0.73 HRAS (0.53) NAMPTMEN1KMT2ALMNARAB9A
SCHEMBL5889470 0.73 RPS6KA2 (0.42) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6489771 0.72 HRAS (0.47) NAMPTMEN1KMT2ARAB9ATOP1
SCHEMBL6495181 0.71 HRAS (0.51) NAMPTMEN1KMT2ALMNARAB9A

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 NAMPT 679/4885MEN1 68/4885KMT2A 4404/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 NAMPT 679/4885MEN1 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 NAMPT 3092/4885MEN1 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.