SCHEMBL4014284

SCHEMBL4014284

Cc1ccc(CNC(=O)NCC2CCC(CNC(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.59
MMP13 P45452 1/20 0.57
HDAC3 O15379 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
MAPK14 Q16539 3/20 0.53
RAB9A P51151 2/20 0.52
HPGD P15428 2/20 0.52
KCNH2 Q12809 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4009675 0.94 SMN1; SMN2 (0.61) NAMPTMMP13HDAC3SMN1; SMN2MAPK14
SCHEMBL178383 0.87 MMP13 (0.71) MMP13HDAC3MAPK14KCNH2CACNA1I
SCHEMBL4013476 0.86 NAMPT (0.59) NAMPTHDAC3SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4009230 0.85 MMP13 (0.61) NAMPTMMP13HDAC3MAPK14KCNH2
SCHEMBL4013351 0.83 MAPK14 (0.62) MMP13MAPK14KCNH2CACNA1I
SCHEMBL4009554 0.81 POLB (0.56) NAMPTHDAC3SMN1; SMN2RAB9AMEN1
SCHEMBL4012520 0.81 NPC1 (0.67) MMP13HDAC3SMN1; SMN2MAPTMAPK14
SCHEMBL4006619 0.81 CXCR3 (0.61) NAMPTHDAC3RAB9AMEN1KMT2A
SCHEMBL4005886 0.80 HPGD (0.48) SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD
SCHEMBL4007255 0.80 CA1 (0.50) NAMPTHDAC3SMN1; SMN2ALDH1A1HPGD

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 306/4885MMP13 1794/4885HDAC3 190/4885

“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.