SCHEMBL3553731

SCHEMBL3553731

CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
MAPT P10636 4/20 0.68
THRB P10828 1/20 0.68
ALDH1A1 P00352 3/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.63
SLC6A5 Q9Y345 7/20 0.62
SLC6A9 P48067 6/20 0.61
GPR174 Q9BXC1 2/20 0.60
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
GAA P10253 1/20 0.57
DPP4 P27487 1/20 0.57

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
SCHEMBL30957484 1.00 LMNA (0.69) LMNAMAPTTHRBALDH1A1POLB
SCHEMBL1498664 0.88 POLB (0.65) LMNAMAPTTHRBALDH1A1POLB
SCHEMBL14464189 0.87 ALDH1A1 (0.79) LMNAMAPTTHRBALDH1A1POLB
SCHEMBL5240376 0.86 ALDH1A1 (0.65) LMNAMAPTTHRBALDH1A1KMT2A
SCHEMBL3216259 0.86 LMNA (0.64) LMNAMAPTTHRBALDH1A1POLB
SCHEMBL1985188 0.86 MAPT (0.61) LMNAMAPTTHRBALDH1A1POLB
SCHEMBL3542256 0.85 LMNA (0.70) LMNAMAPTTHRBALDH1A1KMT2A
SCHEMBL3547962 0.85 ALDH1A1 (0.74) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL28702263 0.84 MAPT (0.70) LMNAMAPTTHRBALDH1A1POLB
SCHEMBL994347 0.84 ALDH1A1 (0.68) LMNAMAPTTHRBALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
CN-100528865-C Imidazolo-5-yl-anilinopyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
CN-1938295-A Imidazol-5-yl-anilinopyrimidines as cell proliferation inhibitors ASTRAZENECA AB (SE) 2007-03-28 CN disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI LMNA 988/4885MAPT 3632/4885THRB 3973/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 LMNA 2990/4885MAPT 4713/4885THRB 1171/4885

“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.