SCHEMBL6300783

SCHEMBL6300783

CC(=O)NCc1ccc(C(=O)NC(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
PDK1 Q15118 1/20 0.46
NQO2 P16083 1/20 0.45
LMNA P02545 4/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.43
HPGD P15428 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL5988012 0.84 VCAM1 (0.54) ALDH1A1PDK1LMNAHPGDHTT
SCHEMBL5986815 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTPDK1LMNA
SCHEMBL3108201 0.81 PDK1 (0.46) ALDH1A1SMN1; SMN2MAPTPDK1LMNA
SCHEMBL5987827 0.80 RAB9A (0.42) ALDH1A1SMN1; SMN2MAPTPDK1LMNA
SCHEMBL6299032 0.79 NQO2 (0.50) ALDH1A1SMN1; SMN2MAPTNQO2LMNA
SCHEMBL13385351 0.78 HTT (0.59) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL14453688 0.76 MAPK1 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAPKM
SCHEMBL14428567 0.76 PDK1 (0.62) ALDH1A1SMN1; SMN2MAPTPDK1LMNA
SCHEMBL20511418 0.75 MEN1 (0.62) ALDH1A1SMN1; SMN2MAPTLMNACYP3A4
SCHEMBL28068873 0.74 PDK1 (0.48) ALDH1A1SMN1; SMN2MAPTPDK1LMNA

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-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 ALDH1A1 570/4885SMN1; SMN2 186/4885MAPT 4591/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM ALDH1A1 1067/4885SMN1; SMN2 1017/4885MAPT 4725/4885

“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.