SCHEMBL506481

SCHEMBL506481

CCCCCCCCCCCCCCNC(=O)C(CO)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
NAAA Q02083 2/20 0.44
CTSL P07711 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL506480 1.00 TLR2 (0.48) TLR2KMT2AMEN1LMNATP53
SCHEMBL506861 0.83 TLR2 (0.53) TLR2KMT2AMEN1HPGDNAAA
SCHEMBL506862 0.83 TLR2 (0.53) TLR2KMT2AMEN1HPGDNAAA
SCHEMBL506094 0.82 TLR2 (0.52) TLR2HPGDNAAAALDH1A1NPC1
SCHEMBL506095 0.82 TLR2 (0.52) TLR2HPGDNAAAALDH1A1NPC1
SCHEMBL10013396 0.81 MEN1 (0.49) KMT2AMEN1POLBCYP2C19ALDH1A1
SCHEMBL508637 0.80 TSHR (0.54) TLR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL508636 0.80 TSHR (0.54) TLR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL506569 0.79 TLR2 (0.72) TLR2KMT2AMEN1HPGDNAAA
SCHEMBL506469 0.79 TLR2 (0.72) TLR2KMT2AMEN1HPGDNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853452-B2 Compounds, their syntheses, compositions, and methods to treat cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-07 US disclosed
US-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2012-02-02 US disclosed
WO-2010093615-A2 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER TULANE UNIVERSITY (US) 2010-08-19 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 (1 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-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER SGMS1, PHOSPHO1, MCL1 TLR2 4454/4885KMT2A 2371/4885MEN1 132/4885

“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.