Sugi Predict

Sugi Predict / Compounds / SCHEMBL6490056

SCHEMBL6490056

SCHEMBL6490056

O=C(O)N(CCc1cscn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CAPN1 P07384 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ CRHBP P24387 2/20 0.36
▸ CRHR2 Q13324 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL6497887 0.82 KDM4C (0.40) CAPN1KDM4CCYP1A2CYP3A4NPSR1
SCHEMBL27600739 0.80 POLB (0.56) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL1435064 0.75 CRHBP (0.55) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL21048770 0.73 CDC25C (0.48) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL1435066 0.72 CRHBP (0.56) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL17513548 0.71 KMT2A (0.45) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6798819 0.71 POLB (0.57) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL6487654 0.70 MAPT (0.46) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL29667979 0.70 ALDH1A1 (0.51) ALDH1A1KMT2AL3MBTL1MEN1CRHBP
SCHEMBL17258687 0.70 ALDH1A1 (0.51) ALDH1A1KMT2AL3MBTL1MEN1CRHBP

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 — — 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-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 (2 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 ALDH1A1 1427/4885KMT2A 2457/4885L3MBTL1 1793/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ALDH1A1 1603/4885KMT2A 573/4885L3MBTL1 2276/4885

“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.