SCHEMBL13813709

SCHEMBL13813709

CCCCNCCCc1ccc2c(NC(=O)CC3CCCCC3)c(I)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.49
EPHX2 P34913 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
CSNK1D P48730 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNJ11 Q14654 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL3857335 0.90 P2RX7 (0.61) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1802916 0.89 P2RX7 (0.60) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL13813810 0.84 P2RX7 (0.61) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL1807655 0.83 P2RX7 (0.62) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL1807797 0.83 P2RX7 (0.52) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3842411 0.82 P2RX7 (0.61) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3843804 0.82 P2RX7 (0.51) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL1803938 0.81 P2RX7 (0.73) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL3837447 0.78 P2RX7 (0.63) P2RX7EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL1805790 0.76 P2RX7 (0.62) P2RX7EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 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-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885EPHX2 1014/4885NPC1 797/4885

“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.