SCHEMBL4005992

SCHEMBL4005992

Cc1ccc(CNC(=O)NCC2CCC(CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 5/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
MAPT P10636 2/20 0.49
CYP2C9 P11712 1/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
NAMPT P43490 1/20 0.48
PKM P14618 1/20 0.47
IDH2 P48735 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4012779 0.87 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL4003492 0.83 THRB (0.64) KMT2AMEN1GRIN1GRIN2AGRIN2B
SCHEMBL4004972 0.82 MEN1 (0.61) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL4008674 0.81 MAPT (0.66) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL4009611 0.81 MEN1 (0.57) KMT2AMEN1ALDH1A1GRIN1GRIN2A
SCHEMBL4009437 0.78 THRB (0.68) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL2009873 0.75 FBP1 (0.67) KMT2AMEN1HSD11B1ALDH1A1GRIN1
SCHEMBL3851498 0.75 KMT2A (0.86) KMT2AMEN1ALDH1A1MAPTCYP2C9
SCHEMBL12530634 0.74 CYP19A1 (0.62) KMT2AMEN1ALDH1A1GRIN1GRIN2A
SCHEMBL4396124 0.73 PDK1 (0.54) KMT2AMEN1ALDH1A1MAPTCYP2C9

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 KMT2A 1754/4885MEN1 4443/4885HSD11B1 563/4885

“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.