SCHEMBL4855650

SCHEMBL4855650

Nc1ccc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 5/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
CYP1A2 P05177 1/20 0.51
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44

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
SCHEMBL4855639 1.00 LMNA (0.58) LMNATDP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3589236 0.98 LMNA (0.57) LMNATDP1MAPTMEN1KMT2A
SCHEMBL4857095 0.87 TDP1 (0.53) LMNATDP1MAPTMEN1KMT2A
SCHEMBL4857085 0.87 TDP1 (0.53) LMNATDP1MAPTMEN1KMT2A
SCHEMBL10665444 0.87 TSHR (0.54) LMNATDP1MAPTMEN1KMT2A
SCHEMBL10339068 0.85 LMNA (0.53) LMNATDP1MAPTMEN1KMT2A
SCHEMBL15068128 0.85 TSHR (0.53) LMNATDP1MAPTMEN1KMT2A
SCHEMBL1865824 0.84 CASP6 (0.55) LMNATDP1MAPTMEN1KMT2A
SCHEMBL8781834 0.84 LMNA (0.55) LMNATDP1MAPTMEN1KMT2A
SCHEMBL10102346 0.83 LMNA (0.55) LMNATDP1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118742550-A Methionine adenosyltransferase inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-10-01 CN disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1383762-B1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-06-20 EP disclosed
US-7186720-B2 Tetrahydropyridyl-alkyl-heterocycles, method for preparing the same and pharmaceutical compositions containing the same SANOFI-AVENTIS (FR) 2007-03-06 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-07-15 US disclosed
EP-1383762-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2004-01-28 EP disclosed
WO-2002085888-A1 TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-10-31 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 (3 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-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same CYP2F1, CYP11B1, CYP11B2 LMNA 3226/4885TDP1 2538/4885MAPT 4119/4885
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LMNA 2735/4885TDP1 1112/4885MAPT 4057/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 LMNA 2659/4885TDP1 1384/4885MAPT 3753/4885

“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.