SCHEMBL2888331

SCHEMBL2888331

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 2/20 0.48
MITF O75030 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
XDH P47989 1/20 0.43
MAPK1 P28482 3/20 0.42
CYP2C19 P33261 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2896401 0.86 ALDH1A1 (0.66) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL13069343 0.81 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL29451550 0.77 KMT2A (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL10815353 0.75 MEN1 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL20553301 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL25925124 0.75 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL29451328 0.74 MEN1 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL2895158 0.74 ALDH1A1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL13844729 0.74 MEN1 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL18956246 0.74 MEN1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1NPC1

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 7 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
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO 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 SMN1; SMN2 4471/4885MEN1 3931/4885KMT2A 4583/4885

“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.