SCHEMBL6478795

SCHEMBL6478795

COC(=O)c1cccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA4 P22748 1/20 0.56
TP53 P04637 1/20 0.53
KMT2A Q03164 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
DHODH Q02127 1/20 0.51
TRPA1 O75762 1/20 0.51
MGLL Q99685 1/20 0.50
CA12 O43570 1/20 0.50
MEN1 O00255 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PDK2 Q15119 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1164954 0.86 KMT2A (0.70) MAPK1HSD17B10CA1CA2CA9
SCHEMBL31753576 0.86 KMT2A (0.70) MAPK1HSD17B10CA1CA2CA9
SCHEMBL14597968 0.84 HDAC1 (0.67) MAPK1HSD17B10CA1CA2CA9
SCHEMBL6489508 0.84 LMNA (0.54) MAPK1HSD17B10KMT2ADHODHMEN1
SCHEMBL9030804 0.80 SLC6A3 (0.61) CA1CA2CA9CA4KMT2A
SCHEMBL8872555 0.79 CA12 (0.59) CA1CA2CA9MGLLCA12
SCHEMBL10243230 0.79 CA12 (0.62) CA1CA2CA9MGLLCA12
SCHEMBL10243162 0.79 CA12 (0.62) CA1CA2CA9MGLLCA12
SCHEMBL6481471 0.77 CA12 (0.61) CA1CA2CA9MGLLCA12
SCHEMBL2569067 0.77 LOXL2 (0.71) CA1CA2CA9MGLLCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US disclosed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US disclosed
US-6649633-B2 For treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-11-18 US disclosed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US disclosed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 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-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK1 1875/4885HSD17B10 460/4885CA1 4258/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK1 1997/4885HSD17B10 456/4885CA1 4367/4885

“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.