Sugi Predict

Sugi Predict / Compounds / SCHEMBL5067943

SCHEMBL5067943

SCHEMBL5067943

CCOC(=O)c1[nH]nc2c1CCN(c1ccc([N+](=O)[O-])cn1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XPO1 O14980 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ MAPT P10636 7/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ KCNJ1 P48048 1/20 0.40

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
SCHEMBL3455852 0.85 MAPT (0.49) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL3455857 0.85 MAPT (0.49) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL5067941 0.78 TRPV1 (0.38) MAPTALDH1A1NPSR1KDM4EATM
SCHEMBL2391733 0.72 MAPT (0.46) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL3455883 0.71 GUSB (0.42) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL595972 0.70 MAPT (0.69) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL4399381 0.68 MAPT (0.60) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL13070458 0.68 ADORA1 (0.53) MAPTALDH1A1LMNANPSR1KDM4E
SCHEMBL29772098 0.67 L3MBTL1 (0.48) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL9369901 0.67 MAPT (0.53) MAPTL3MBTL1POLBALDH1A1LMNA

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-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 — — US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 — — US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 — — US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 — — US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 — — 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 (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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS XPO1 1009/4885CDC25B 1316/4885MAPT 3423/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS XPO1 967/4885CDC25B 1145/4885MAPT 2997/4885

“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.