SCHEMBL3179822

SCHEMBL3179822

CCCc1c(N)noc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
MAP4K4 O95819 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
GRIA1 P42261 1/20 0.32
GRIA3 P42263 1/20 0.32
LMNA P02545 1/20 0.31
IDO1 P14902 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
BRD4 O60885 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL3189527 0.89 TLR8 (0.42) NOS2MAP4K4TLR8TLR7
SCHEMBL3170104 0.82
SCHEMBL8237746 0.77 LMNA (0.44) LMNABRD4
SCHEMBL9057892 0.74 LMNA (0.31) LMNA
SCHEMBL27042873 0.74 NOS2 (0.37) NOS2IDO1NOS3NOS1
SCHEMBL16935024 0.74 NOS2 (0.34) NOS2
SCHEMBL3175475 0.72 GRIA1 (0.38) NOS2MAP4K4GRIA1GRIA3LMNA
SCHEMBL9066048 0.72 MAP4K4 (0.37) MAP4K4IDO1
SCHEMBL7222139 0.72
SCHEMBL3179817 0.71 GRIA1 (0.44) GRIA1GRIA3

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-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US claimed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 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-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 NOS2 499/4885MAP4K4 1554/4885TLR8 1581/4885

“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.