SCHEMBL4887101

SCHEMBL4887101

CC(=O)C=Cc1cnc(C)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.52
HDAC2 Q92769 11/20 0.52
HCAR2 Q8TDS4 1/20 0.44
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC3 O15379 10/20 0.37
HDAC4 P56524 10/20 0.37
HDAC7 Q8WUI4 10/20 0.37
HDAC10 Q969S8 10/20 0.37
HDAC11 Q96DB2 10/20 0.37
HDAC8 Q9BY41 10/20 0.37
HDAC6 Q9UBN7 10/20 0.37
HDAC9 Q9UKV0 10/20 0.37
HDAC5 Q9UQL6 10/20 0.37
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4887097 1.00 HDAC1 (0.52) HDAC1HDAC2HCAR2GLATDP1
SCHEMBL1124319 0.85 HDAC1 (0.52) HDAC1HDAC2HCAR2KMT2AALDH1A1
SCHEMBL1124322 0.85 HDAC1 (0.52) HDAC1HDAC2HCAR2KMT2AALDH1A1
SCHEMBL29169246 0.80 GLA (0.36) HDAC1HDAC2GLATDP1MAPT
SCHEMBL29169282 0.80 GLA (0.36) HDAC1HDAC2GLATDP1MAPT
SCHEMBL12499239 0.78 HDAC1 (0.47) HDAC1HDAC2HCAR2MAPTALDH1A1
SCHEMBL4886203 0.77 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11744376 0.77 HDAC1 (0.46) HDAC1HDAC2HCAR2MAPTKMT2A
SCHEMBL4886196 0.77 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11744369 0.77 HDAC1 (0.46) HDAC1HDAC2HCAR2MAPTKMT2A

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 7 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
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
EP-0125094-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-04-24 EP disclosed
US-4715884-A MONOCOTYLEDONOUS WEEDS IN DICOTYLEDONOUS CROPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-29 US disclosed
US-4704157-A MONOCOTYLEDONOUS WEEDS IN DICOTYLEDONOUS CROPS CI AUSTRALIA LTD. (AU) 1987-11-03 US disclosed
US-4604132-A Herbicidal 5-(hetero-substituted) cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-08-05 US disclosed
EP-0125094-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP 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 1929/4885HDAC2 745/4885HCAR2 442/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C HDAC1 1362/4885HDAC2 250/4885HCAR2 440/4885

“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.