SCHEMBL4147302

SCHEMBL4147302

O=C(O)c1ccc(NCc2cncnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.52
HCAR2 Q8TDS4 1/20 0.47
NAMPT P43490 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HIF1A Q16665 1/20 0.44
CYP2C9 P11712 1/20 0.44
LTA4H P09960 1/20 0.44
P4HTM Q9NXG6 1/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL2636669 0.83 LTA4H (0.69) VNN1NAMPTCYP2C9LTA4HALDH1A1
SCHEMBL4418236 0.82 CA1 (0.59) CA1CA2HIF1APOLBALDH1A1
SCHEMBL2636196 0.81 NAMPT (0.68) NAMPTCA1CA2POLBALDH1A1
SCHEMBL1446643 0.79 CA1 (0.70) CA1CA2HIF1APOLBALDH1A1
SCHEMBL5317264 0.78 LTA4H (0.67) VNN1CYP2C9LTA4HALDH1A1CYP1A2
SCHEMBL3129375 0.78 CA1 (0.51) VNN1NAMPTCA1CA2ALDH1A1
SCHEMBL9494446 0.78 NAMPT (0.59) NAMPTPOLBALDH1A1HPGDHSD17B10
SCHEMBL19779410 0.78 VNN1 (0.70) VNN1HCAR2
SCHEMBL11246349 0.76 CA1 (0.69) CA1CA2HIF1APOLBALDH1A1
SCHEMBL4872573 0.75 HCAR2 (0.54) HCAR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B VNN1 3848/4885HCAR2 1980/4885NAMPT 2764/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B VNN1 3848/4885HCAR2 1980/4885NAMPT 2764/4885

“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.