SCHEMBL4573202

SCHEMBL4573202

CCCCOC(OCCCC)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP7 Q93009 1/20 0.40
ALDH1A1 P00352 4/20 0.40
S1PR4 O95977 1/20 0.40
GSR P00390 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALPG P10696 1/20 0.37
PDE7A Q13946 1/20 0.37

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
SCHEMBL30194863 0.89 MAPT (0.41) MAPK1TSHRMAPTLMNASMN1; SMN2
SCHEMBL9700761 0.86 TSHR (0.49) MAPK1TSHRMAPTLMNASMN1; SMN2
SCHEMBL2262385 0.85 MAPT (0.48) MAPK1TSHRMAPTLMNASMN1; SMN2
SCHEMBL633527 0.84 TDP1 (0.44) MAPK1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1803434 0.80 ALDH1A1 (0.47) MAPK1TSHRMAPTLMNASMN1; SMN2
SCHEMBL2928829 0.78 MAPK1 (0.53) MAPK1TSHRMAPTLMNASMN1; SMN2
SCHEMBL21577681 0.78 MAPT (0.40) MAPK1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL30194794 0.76 MAPT (0.41) MAPK1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL11200193 0.75 ALDH1A1 (0.44) MAPK1TSHRMAPTLMNAKMT2A
SCHEMBL13176425 0.73 MAPK1 (0.47) MAPK1TSHRMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C MAPK1 1646/4885TSHR 783/4885MAPT 2885/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C MAPK1 2354/4885TSHR 421/4885MAPT 3299/4885

“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.