SCHEMBL6460417

SCHEMBL6460417

Cn1c(=O)[nH]c(Cl)c([N+](=O)[O-])c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
RAB9A P51151 3/20 0.44
TLR9 Q9NR96 3/20 0.44
NPC1 O15118 2/20 0.44
PAX8 Q06710 2/20 0.44
XBP1 P17861 1/20 0.44
KDM4E B2RXH2 7/20 0.38
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
BLM P54132 1/20 0.37
HTT P42858 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36

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
SCHEMBL30799260 0.80 MAPT (0.40) PKMSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4762675 0.79 PKM (0.53) PKMSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL30799096 0.79 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL31085048 0.74 PKM (0.41) PKMSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL18122741 0.73 PKM (0.47) PKMSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL6948080 0.71 MEN1 (0.40) PKMMAPTALDH1A1LMNARAB9A
SCHEMBL25979875 0.70 MEN1 (0.39) PKMMAPTALDH1A1LMNARAB9A
SCHEMBL2449385 0.69 KDM4E (0.51) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL27041752 0.69 ALDH1A1 (0.47) PKMSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL30799011 0.68 ALDH1A1 (0.39) SMN1; SMN2MAPTALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO disclosed
US-20050239784-A1 3-Phenyl analogs of toxoflavine as kinase inhibitors LACRAMPE JEAN F A 2005-10-27 US disclosed
EP-1523484-A2 3-PHENYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-20 EP disclosed
WO-2004007498-A9 3-PHENYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-08-12 WO disclosed
WO-2004007498-A2 3-PHENYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 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 (2 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-20050239784-A1 3-Phenyl analogs of toxoflavine as kinase inhibitors CDK8, GRK3, GRK4 PKM 3456/4885SMN1; SMN2 4605/4885MAPT 4876/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR PKM 1278/4885SMN1; SMN2 2741/4885MAPT 3896/4885

“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.