SCHEMBL8404175

SCHEMBL8404175

O=C1/C(=N\Cc2ccc3[nH]ccc3c2)c2ccccc2N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
GALR3 O60755 1/20 0.40
HTR4 Q13639 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CES2 O00748 1/20 0.40
BCHE P06276 1/20 0.40
GAA P10253 1/20 0.40
CES1 P23141 1/20 0.40
ACE P12821 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
LMNA P02545 1/20 0.39
PDE10A Q9Y233 1/20 0.37
FAAH O00519 1/20 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
SCHEMBL917979 0.81 GALR3 (0.56) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL917978 0.81 GALR3 (0.56) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL8404173 0.79 KMT2A (0.50) MAPTKMT2AMEN1NPSR1GALR3
SCHEMBL8410768 0.77 KMT2A (0.50) MAPTKMT2AMEN1NPSR1GALR3
SCHEMBL8226920 0.77 KMT2A (0.52) MAPTKMT2AMEN1NPSR1GALR3
SCHEMBL12942336 0.77 KMT2A (0.52) MAPTKMT2AMEN1NPSR1GALR3
SCHEMBL8406002 0.75 KMT2A (0.53) MAPTKMT2AMEN1NPSR1GALR3
SCHEMBL8405541 0.73 KMT2A (0.44) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL12938088 0.68 ALDH1A1 (0.65) MAPTKMT2AMEN1NPSR1GALR3
SCHEMBL7679159 0.68 MAPT (0.50) MAPTKDM4ENPSR1ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 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-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 MAPT 3177/4885KDM4E 4395/4885KMT2A 4209/4885

“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.