SCHEMBL4006546

SCHEMBL4006546

CNS(=O)(=O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.67
▸ KDM4E B2RXH2 3/20 0.66
▸ LMNA P02545 3/20 0.66
▸ PDE10A Q9Y233 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ POLB P06746 1/20 0.64
▸ KMT2A Q03164 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MEN1 O00255 1/20 0.57

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
SCHEMBL17681381 0.85 MAPT (0.79) KDM4ELMNASMN1; SMN2POLBKMT2A
SCHEMBL15919438 0.83 DHODH (0.53) DHODHKDM4ELMNAPDE10ASMN1; SMN2
SCHEMBL1900639 0.83 DHODH (0.72) DHODHKDM4ELMNAPDE10ASMN1; SMN2
SCHEMBL2467110 0.81 DHODH (1.00) DHODHKDM4ELMNAPDE10ASMN1; SMN2
SCHEMBL29536364 0.81 DHODH (1.00) DHODHKDM4ELMNAPDE10ASMN1; SMN2
Cinchophen SCHEMBL7588217 0.81 KDM4E (1.00) DHODHKDM4ELMNAPDE10ASMN1; SMN2
Cinchophen SCHEMBL29376617 0.81 KDM4E (1.00) DHODHKDM4ELMNAPDE10ASMN1; SMN2
Cinchophen SCHEMBL25519 0.81 KDM4E (1.00) DHODHKDM4ELMNAPDE10ASMN1; SMN2
SCHEMBL29788466 0.80 DHODH (0.80) DHODHKDM4ELMNAPDE10ASMN1; SMN2
SCHEMBL4017739 0.80 DHODH (0.80) DHODHKDM4ELMNAPDE10ASMN1; SMN2

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 5 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 disclosed
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
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
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 DHODH 1103/4885KDM4E 1761/4885LMNA 1593/4885

“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.

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