SCHEMBL4003531

SCHEMBL4003531

O=C(NCC1CC1)NCC1CCC(CNC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.55
MLYCD O95822 1/20 0.55
MAPK14 Q16539 4/20 0.52
AR P10275 1/20 0.52
CACNA1H O95180 1/20 0.51
NAMPT P43490 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 1/20 0.50
CYP2C9 P11712 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL29926296 0.95 HDAC6 (0.59) HDAC6MLYCDMAPK14ARCACNA1H
SCHEMBL4013476 0.92 NAMPT (0.59) HDAC6MLYCDARNAMPTHDAC3
SCHEMBL4013615 0.90 ALDH1A1 (0.60) HDAC6MLYCDMAPK14ARCACNA1H
SCHEMBL4007507 0.88 NPC1 (0.54) HDAC6MLYCDMAPK14ARCACNA1H
SCHEMBL4518870 0.87 HDAC6 (0.71) HDAC6MLYCDNAMPTKMT2ACA2
SCHEMBL4009554 0.86 POLB (0.56) NAMPTHDAC3KMT2ANPC1RAB9A
SCHEMBL4008819 0.84 NPC1 (0.55) HDAC6NAMPTHDAC4HDAC3HDAC1
SCHEMBL17730110 0.83 ALDH1A1 (0.67) HDAC6MLYCDMAPK14ARHDAC4
SCHEMBL17730108 0.83 ALDH1A1 (0.67) HDAC6MLYCDMAPK14ARHDAC4
SCHEMBL4003460 0.82 EPHX2 (0.55) HDAC6MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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 (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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 HDAC6 317/4885MLYCD 198/4885MAPK14 2788/4885

“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.