SCHEMBL3526484

SCHEMBL3526484

COC(=O)CCC#Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TXNRD1 Q16881 1/20 0.39
CTSD P07339 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL6211234 0.87 LMNA (0.42) LMNAALDH1A1NPSR1MAPTMEN1
SCHEMBL3528411 0.82 L3MBTL1 (0.45) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3064911 0.80 ALDH1A1 (0.44) LMNAALDH1A1NPSR1MAPTMEN1
SCHEMBL3071238 0.78 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL15767297 0.78 HSD17B10 (0.43) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL25388760 0.77 FFAR1 (0.43) LMNAALDH1A1MAPTKMT2ATDP1
SCHEMBL3524738 0.77 ALDH1A1 (0.53) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6211669 0.77 LMNA (0.37) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3528228 0.75 MAPT (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL29418229 0.75 FFAR1 (0.46) LMNAALDH1A1MAPTPOLBTDP1

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-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP LMNA 849/4885ALDH1A1 1607/4885NPSR1 669/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG LMNA 1980/4885ALDH1A1 1453/4885NPSR1 239/4885

“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.