SCHEMBL5862445

SCHEMBL5862445

Cc1[nH]c(=O)c(I)cc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
PDE3B Q13370 8/20 0.35
PDE3A Q14432 8/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL7121819 0.83 GRIN2D (0.41) DPYDPKMGAAHSD17B10KDM4E
SCHEMBL12946182 0.83 HSD17B10 (0.50) DPYDPKMGAAHSD17B10KDM4E
SCHEMBL20599392 0.74 PDE3A (0.50) DPYDGAAHSD17B10KDM4EHPGD
SCHEMBL7345760 0.74 KDM4E (0.54) DPYDGAAHSD17B10KDM4EHPGD
SCHEMBL21736999 0.67
SCHEMBL14857846 0.65 ALOX15 (0.52) GAAHSD17B10KDM4EHPGDALDH1A1
SCHEMBL5861892 0.65
SCHEMBL19384952 0.65
SCHEMBL13093764 0.65 GRIN2D (0.45) GAAHSD17B10KDM4EHPGDGRIN2D
SCHEMBL21242333 0.65 HSD17B10 (0.34) DPYDPKMGAAHSD17B10KDM4E

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-7030145-B2 Pyridinyl derivatives for the treatment of depression BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
US-20040209917-A1 Pyridinyl derivatives for the treatment of depression HARTZ RICHARD A (US) 2004-10-21 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-20040209917-A1 Pyridinyl derivatives for the treatment of depression CRH, CRHR1, CRHR2 DPYD 2877/4885PKM 796/4885GAA 4203/4885

“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.