SCHEMBL6490802

SCHEMBL6490802

CC(C)(C)OC(=O)Nc1nc(CCN(C(=O)OC(C)(C)C)c2ccc(N)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.43
AOC3 Q16853 9/20 0.40
MAOB P27338 3/20 0.37
CCR2 P41597 2/20 0.37
PI4KB Q9UBF8 1/20 0.37
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
PTPRB P23467 1/20 0.35

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
SCHEMBL27583385 0.93 SIRT1 (0.44) SIRT1AOC3MAOBCCR2PI4KB
SCHEMBL27583324 0.92 AOC3 (0.40) SIRT1AOC3MAOBSMN1; SMN2
SCHEMBL27583340 0.88 AOC3 (0.36) SIRT1AOC3MAOBHDAC1HDAC6
SCHEMBL6499711 0.87 SIRT1 (0.42) SIRT1AOC3MAOBCCR2PI4KB
SCHEMBL6489918 0.87 ALDH1A1 (0.43) SIRT1HDAC1HDAC6
SCHEMBL6498275 0.84 MAPT (0.38) HDAC1HDAC6SMN1; SMN2
SCHEMBL6489886 0.81 NR3C2 (0.39) CCR2HDAC1HDAC6HDAC8
SCHEMBL27583338 0.80 GSTO1 (0.35) HDAC1HDAC6
SCHEMBL6492581 0.79 SMN1; SMN2 (0.46) SIRT1AOC3MAOBPI4KBSMN1; SMN2
SCHEMBL6495932 0.79 AOC3 (0.54) SIRT1AOC3MAOBCCR2PI4KB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
CN-1478077-A Benzamide compounds as APO B secretion inhibitors ����ҩƷ��ҵ��ʽ���� 2004-02-25 CN disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 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 (3 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 SIRT1 1218/4885AOC3 274/4885MAOB 10/4885
US-20040133008-A1 Amide compounds APOB, APOL1, LDLR SIRT1 1393/4885AOC3 494/4885MAOB 284/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SIRT1 804/4885AOC3 227/4885MAOB 46/4885

“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.