SCHEMBL3547962

SCHEMBL3547962

CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.74
LMNA P02545 9/20 0.74
MAPT P10636 10/20 0.71
SMN1; SMN2 Q16637 5/20 0.70
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C19 P33261 1/20 0.64
GAA P10253 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK1 P28482 1/20 0.60
PAX8 Q06710 1/20 0.56

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
SCHEMBL5240376 0.93 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL27927947 0.90 ALDH1A1 (0.76) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL2530427 0.87 ALDH1A1 (0.72) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL2530426 0.87 ALDH1A1 (0.72) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL3542256 0.86 LMNA (0.70) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL899915 0.86 ALDH1A1 (0.74) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL2530564 0.85 ALDH1A1 (1.00) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL3553731 0.85 LMNA (0.69) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL30957484 0.85 LMNA (0.69) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL13114779 0.83 ALDH1A1 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61027975-A None JP 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-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
JP-S6127975-A PIPERZINE COMPOUND AND PREPARATION THEREOF NIPPON KAYAKU CO LTD 1986-02-07 JP 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI ALDH1A1 320/4885LMNA 988/4885MAPT 3632/4885

“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.