SCHEMBL13972831

SCHEMBL13972831

CC(C)(C)NCc1ccc2cc(N=O)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ HDAC1 Q13547 8/20 0.34
▸ HDAC2 Q92769 8/20 0.34
▸ HPGD P15428 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL8424361 0.81 HDAC1 (0.37) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL13959081 0.78 HDAC1 (0.49) ALDH1A1KDM4EMEN1KMT2AHDAC1
SCHEMBL13959082 0.78 HDAC1 (0.49) MEN1KMT2AHDAC1HDAC2CYP1A2
SCHEMBL13959104 0.77 TERT (0.47) —
SCHEMBL13959073 0.75 NCF1 (0.50) ALDH1A1KDM4EHDAC1HDAC2CYP1A2
SCHEMBL8233885 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL13958894 0.73 CYSLTR1 (0.49) KDM4EHDAC1HDAC2HPGDHSD17B10
SCHEMBL13959075 0.70 PDE10A (0.42) MEN1KMT2AHDAC1HDAC2CYP1A2
SCHEMBL13973340 0.69 PARP1 (0.35) ALDH1A1KDM4EHDAC1HDAC2HPGD
SCHEMBL18710339 0.67 MAPT (0.44) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP ALDH1A1 4742/4885KDM4E 4432/4885MEN1 3618/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP ALDH1A1 4742/4885KDM4E 4432/4885MEN1 3618/4885

“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.

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