SCHEMBL2896401

SCHEMBL2896401

CCOC(=O)Cn1ncc(Br)c(Br)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
NPC1 O15118 5/20 0.66
MAPT P10636 5/20 0.66
RAB9A P51151 5/20 0.66
S1PR4 O95977 4/20 0.66
S1PR1 P21453 4/20 0.66
MITF O75030 2/20 0.66
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
PPARG P37231 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
NCOA2 Q15596 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
XBP1 P17861 2/20 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
SCHEMBL2888331 0.86 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL20553301 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2888709 0.79 NPC1 (0.75) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL18956246 0.79 MEN1 (0.46) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL29451550 0.77 KMT2A (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL13844729 0.77 MEN1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL2895158 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL29451328 0.77 MEN1 (0.51) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8544400 0.76 NPC1 (0.64) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL29451899 0.75 MEN1 (0.47) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A

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-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 ALDH1A1 2584/4885SMN1; SMN2 4471/4885NPC1 1850/4885

“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.