SCHEMBL4390148

SCHEMBL4390148

O=C(O)NCC1CCC(CNC(=O)c2cc(-c3ccc(N4CCOCC4)nc3)nc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
ACACB O00763 7/20 0.53
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
ACACA Q13085 6/20 0.51
HPGD P15428 3/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL4390138 1.00 HDAC1 (0.53) HDAC1ACACBALDH1A1KDM4EL3MBTL1
SCHEMBL4394891 0.92 ACACB (0.55) ACACBALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4394883 0.92 ACACB (0.55) ACACBALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4391594 0.91 ACACB (0.54) ACACBALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4391583 0.91 ACACB (0.54) ACACBALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4390241 0.90 ACACB (0.53) ACACBALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4012255 0.90 ACACB (0.55) ACACBALDH1A1KDM4EGAAACACA
SCHEMBL4396141 0.90 ACACB (0.60) ACACBALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4012250 0.90 ACACB (0.55) ACACBALDH1A1KDM4EGAAACACA
SCHEMBL4396131 0.90 ACACB (0.60) ACACBALDH1A1KDM4EL3MBTL1GAA

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 2 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

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 HDAC1 185/4885ACACB 2/4885ALDH1A1 169/4885

“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.