Sugi Predict

Sugi Predict / Compounds / SCHEMBL13233346

SCHEMBL13233346

SCHEMBL13233346

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OP)c2oc3ccncc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL73347 0.90 MAPT (0.47) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL73037 0.88 PDE4D (0.54) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL75121 0.78 MAPT (0.45) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL13233347 0.78 PDE4D (0.46) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL73947 0.76 PDE4D (0.42) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL8267950 0.74 KMT2A (0.43) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL13233350 0.74 PDE4B (0.55) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL74991 0.72 MAPT (0.43) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL74252 0.70 PDE4B (0.46) ALDH1A1KDM4EKMT2APDE4APDE4B
SCHEMBL11722335 0.69 MAPT (0.61) MAPTALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524905-B2 Processes for preparing 6-(difluoromethoxy)[1]benzofuro[3,2-c]pyridine-9-carbaldehyde, a novel intermediate for the synthesis of PDE IV inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-09-03 — — US disclosed
US-8524905-B2 Processes for preparing 6-(difluoromethoxy)[1]benzofuro[3,2-c]pyridine-9-carbaldehyde, a novel intermediate for the synthesis of PDE IV inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-09-03 — — US disclosed
US-20100168151-A1 NOVEL PROCESSES FOR PREPARING 6-(DIFLUOROMETHOXY)[1]BENZOFURO[3,2-C]PYRIDINE-9-CARBALDEHYDE, A NOVEL INTERMEDIATE FOR THE SYNTHESIS OF PDE IV INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-07-01 — — 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-20100168151-A1 NOVEL PROCESSES FOR PREPARING 6-(DIFLUOROMETHOXY)[1]BENZOFURO[3,2-C]PYRIDINE-9-CARBALDEHYDE, A NOVEL INTERMEDIATE FOR THE SYNTHESIS OF PDE IV INHIBITORS PDE4B, PDE4A, PDE4C MAPT 3351/4885ALDH1A1 341/4885KDM4E 106/4885

“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.