SCHEMBL4574406

SCHEMBL4574406

CC(=O)/C=C/c1ccc2nc[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.70
ESR1 P03372 1/20 0.50
IAPP P10997 1/20 0.49
PTGS1 P23219 1/20 0.49
POLB P06746 6/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GPR183 P32249 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
MMP12 P39900 1/20 0.44
LMNA P02545 1/20 0.44
PRKCI P41743 1/20 0.44
FDPS P14324 1/20 0.43

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
SCHEMBL4572978 1.00 HDAC1 (0.70) HDAC1ESR1IAPPPTGS1POLB
SCHEMBL5133499 0.82 HDAC1 (1.00) HDAC1ESR1GPR183HDAC6
SCHEMBL1418704 0.75 HDAC1 (0.56) HDAC1POLBALDH1A1SMN1; SMN2TDP1
SCHEMBL6600649 0.75 HDAC1 (0.56) HDAC1POLBALDH1A1SMN1; SMN2TDP1
SCHEMBL30050466 0.74 IP6K1 (0.63) HDAC1ESR1POLBALDH1A1SMN1; SMN2
SCHEMBL14972936 0.74 IP6K1 (0.63) HDAC1ESR1POLBALDH1A1SMN1; SMN2
SCHEMBL10817405 0.74 IP6K1 (0.63) HDAC1ESR1POLBALDH1A1SMN1; SMN2
SCHEMBL25279674 0.73 ABCG2 (0.65) HDAC1ALDH1A1TDP1KMT2AMAPT
SCHEMBL5131242 0.73 HDAC1 (0.55) HDAC1ESR1ALDH1A1SMN1; SMN2GPR183
SCHEMBL8601894 0.72 HDAC1 (0.54) HDAC1ESR1POLBALDH1A1SMN1; 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 HDAC1 1929/4885ESR1 3129/4885IAPP 3425/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C HDAC1 1362/4885ESR1 3953/4885IAPP 2319/4885

“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.