SCHEMBL4013476

SCHEMBL4013476

O=C(NCc1ccc(F)cc1)NCC1CCC(CNC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.59
HDAC3 O15379 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.50
CXCR4 P61073 1/20 0.50
MEN1 O00255 1/20 0.50
AR P10275 1/20 0.49
SSTR3 P32745 1/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MLYCD O95822 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 2/20 0.47

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
SCHEMBL4009554 0.94 POLB (0.56) NAMPTHDAC3LMNAKMT2AMEN1
SCHEMBL4003531 0.92 HDAC6 (0.55) NAMPTHDAC3KMT2AARRAB9A
SCHEMBL29926296 0.87 HDAC6 (0.59) NAMPTHDAC3KMT2AARRAB9A
SCHEMBL4014284 0.86 NAMPT (0.59) NAMPTHDAC3KMT2AMEN1POLB
SCHEMBL4008158 0.86 L3MBTL1 (0.54) NAMPTL3MBTL1ARRAB9ASMN1; SMN2
SCHEMBL4007255 0.85 CA1 (0.50) NAMPTHDAC3LMNAKMT2AMEN1
SCHEMBL4005983 0.84 ALDH1A1 (0.53) HDAC3L3MBTL1LMNAKMT2AMEN1
SCHEMBL3823301 0.83 HDAC3 (0.56) NAMPTHDAC3L3MBTL1LMNAKMT2A
SCHEMBL4013615 0.83 ALDH1A1 (0.60) HDAC3LMNAKMT2AARPOLB
SCHEMBL4008819 0.82 NPC1 (0.55) NAMPTHDAC3L3MBTL1KMT2AMEN1

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-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
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 NAMPT 306/4885HDAC3 190/4885L3MBTL1 2621/4885

“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.