SCHEMBL6498926

SCHEMBL6498926

CCN=C(CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(=NCC)NCC)n(CCC(C)C)c3)nc2)cn1CCC(C)C)NCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P4HTM Q9NXG6 1/20 0.34
GRM5 P41594 1/20 0.34
PRKAA2 P54646 1/20 0.34

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
SCHEMBL5889834 1.00 NAMPT (0.37) NAMPTALDH1A1POLBMEN1LMNA
SCHEMBL5889513 0.87 NAMPT (0.38) NAMPTALDH1A1POLBMEN1LMNA
SCHEMBL5889524 0.81 HRAS (0.42) NAMPTALDH1A1POLBMEN1LMNA
SCHEMBL5889688 0.80 HRAS (0.41) NAMPTALDH1A1POLBMEN1LMNA
SCHEMBL5889799 0.79 MEN1 (0.38) NAMPTALDH1A1POLBMEN1LMNA
SCHEMBL5889791 0.79 MEN1 (0.38) NAMPTALDH1A1POLBMEN1LMNA
SCHEMBL5889542 0.76 HRAS (0.49) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL5889825 0.75 HRAS (0.43) NAMPTALDH1A1POLBMEN1LMNA
SCHEMBL5889526 0.74 HRAS (0.53) NAMPTPOLBMEN1LMNAKMT2A
SCHEMBL5889536 0.73 TERT (0.42) NAMPTALDH1A1MEN1LMNAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 NAMPT 679/4885ALDH1A1 1150/4885POLB 2947/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 NAMPT 679/4885ALDH1A1 1150/4885POLB 2947/4885

“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.