SCHEMBL4884971

SCHEMBL4884971

CCCCCCCCCCCC(=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.90
ATG4B Q9Y4P1 3/20 0.62
MEN1 O00255 9/20 0.61
KMT2A Q03164 9/20 0.61
RAB9A P51151 7/20 0.61
MAPT P10636 6/20 0.61
NPC1 O15118 5/20 0.61
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPK10 P53779 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
NPY1R P25929 1/20 0.53
PKM P14618 1/20 0.52
CASP7 P55210 2/20 0.52
CASP6 P55212 2/20 0.52
NSD2 O96028 1/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52

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
SCHEMBL1392634 0.99 LMNA (0.92) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL1395039 0.95 LMNA (1.00) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL5836289 0.89 LMNA (0.85) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL881339 0.89 LMNA (0.84) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL13681844 0.88 LMNA (0.78) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL8236728 0.88 LMNA (0.74) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL10253068 0.85 LMNA (0.77) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL375490 0.84 LMNA (0.76) LMNAATG4BMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL28533675 0.83 LMNA (0.74) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL14906480 0.83 LMNA (0.74) LMNAATG4BMEN1KMT2ARAB9A

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
EP-1420828-B1 LIPOPHILIC DRUG COMPOSITIONS SUNG MICHAEL T (US) 2012-09-26 EP claimed
US-7390506-B2 Lipophilic drug compositions PHARMALIPOCORE, INC. 2008-06-24 US claimed
US-20060147525-A1 Lipophilic drug compositions PHARMALIPOCORE, INC. 2006-07-06 US claimed
EP-1420828-B1 LIPOPHILIC DRUG COMPOSITIONS SUNG MICHAEL T (US) 2012-09-26 EP disclosed
US-7390506-B2 Lipophilic drug compositions PHARMALIPOCORE, INC. 2008-06-24 US disclosed
US-7125568-B2 Lipophilic drug compositions SUNG, ROSEMARY 2006-10-24 US disclosed
US-20060147525-A1 Lipophilic drug compositions PHARMALIPOCORE, INC. 2006-07-06 US disclosed
EP-1420828-A2 LIPOPHILIC DRUG COMPOSITIONS Sung, Michael T. (US) 2004-05-26 EP disclosed
US-20030108596-A1 Lipophilic drug compositions SUNG, ROSEMARY 2003-06-12 US disclosed
WO-2003018064-A2 LIPOPHILIC DRUG COMPOSITIONS SUNG MICHAEL T (US) 2003-03-06 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 (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-20030108596-A1 Lipophilic drug compositions LIPA, LIPC, PNLIP LMNA 1277/4885ATG4B 926/4885MEN1 3372/4885
US-20060147525-A1 Lipophilic drug compositions LIPA, LIPC, PNLIP LMNA 1277/4885ATG4B 926/4885MEN1 3372/4885

“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.