SCHEMBL4536928

SCHEMBL4536928

O=C(CC(=O)Oc1ncccn1)Oc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3968294 0.89 P2RX7 (0.38) P2RX7GAALMNAHTTSMN1; SMN2
SCHEMBL27853660 0.87 GAA (0.54) GAALMNAHTTSMN1; SMN2PKM
SCHEMBL15220961 0.82 ELANE (0.42) P2RX7LMNAHTTSMN1; SMN2NPC1
SCHEMBL9737854 0.79 ALDH1A1 (0.43) GAALMNAHTTRAB9AMEN1
SCHEMBL1161075 0.77 KMT2A (0.37) P2RX7GAALMNAHTTSMN1; SMN2
SCHEMBL6157107 0.75 LMNA (0.39) P2RX7LMNASMN1; SMN2MEN1KMT2A
SCHEMBL240908 0.74 TSHR (0.45) GAALMNASMN1; SMN2PKMNPC1
SCHEMBL1291212 0.73 KDM4E (0.43) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL6600410 0.73 MEN1 (0.35) P2RX7GAALMNAHTTSMN1; SMN2
SCHEMBL6633239 0.73 MEN1 (0.43) P2RX7LMNAPKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP 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-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK P2RX7 428/4885GAA 1580/4885LMNA 2869/4885

“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.