SCHEMBL4830146

SCHEMBL4830146

Oc1cccc(-c2cnon2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 13/20 0.58
HSD17B2 P37059 12/20 0.58
METAP2 P50579 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
PIK3CG P48736 2/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FYN P06241 2/20 0.43
CHEK1 O14757 1/20 0.42
MAP4K4 O95819 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
SCHEMBL4013546 0.78 IDO1 (0.50) METAP2
SCHEMBL1031072 0.78 IDO1 (0.50) MAP4K4
SCHEMBL1520375 0.76 RAB9A (0.43) METAP2
SCHEMBL1180306 0.74 HSD17B1 (1.00) HSD17B1HSD17B2METAP2CYP3A4CYP2C9
SCHEMBL24921144 0.74 TDO2 (0.51) CYP3A4CYP2C9MAP4K4
SCHEMBL15859222 0.72 HSD17B1 (0.55) HSD17B1HSD17B2METAP2CYP3A4CYP2C9
SCHEMBL30862097 0.71 HSD17B1 (0.66) HSD17B1HSD17B2METAP2CYP3A4CYP2C9
SCHEMBL5728908 0.70 HSD17B1 (0.84) HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL69369 0.70 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL29551999 0.70 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9

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-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP disclosed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 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 (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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 HSD17B1 987/4885HSD17B2 1535/4885METAP2 2880/4885

“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.