SCHEMBL8405541

SCHEMBL8405541

O=C1/C(=N\Cc2ccc3c(c2)OC(F)(F)O3)c2ccccc2N1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GALR3 O60755 3/20 0.42
HTR4 Q13639 1/20 0.42
ALDH1A1 P00352 4/20 0.39
CES2 O00748 1/20 0.39
BCHE P06276 1/20 0.39
GAA P10253 1/20 0.39
CES1 P23141 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
LMNA P02545 1/20 0.38
ACE P12821 1/20 0.37
FAAH O00519 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 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
SCHEMBL917487 0.81 GALR3 (0.57) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL917489 0.81 GALR3 (0.57) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL8410768 0.76 KMT2A (0.50) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL12942336 0.76 KMT2A (0.52) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL8226920 0.76 KMT2A (0.52) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL8404173 0.76 KMT2A (0.50) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL8177516 0.75 GALR3 (0.55) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL8406002 0.74 KMT2A (0.53) KMT2AMEN1MAPTNPSR1GALR3
SCHEMBL5361331 0.74 GALR3 (0.48) KMT2AMEN1MAPTGALR3HTR4
SCHEMBL5361334 0.74 GALR3 (0.48) KMT2AMEN1MAPTGALR3HTR4

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-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2007-11-08 US disclosed
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods SYNAPTIC PHARMACEUTICAL CORPORATION 2003-04-24 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 (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-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 KMT2A 4393/4885MEN1 4213/4885MAPT 3040/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 KMT2A 4146/4885MEN1 3898/4885MAPT 2990/4885

“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.