SCHEMBL3246364

SCHEMBL3246364

COc1cccc(Nc2cc(N(C)C)nc(N(C)CCc3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
NAPEPLD Q6IQ20 1/20 0.45
MAPK1 P28482 2/20 0.44
EGFR P00533 1/20 0.44
RAB9A P51151 2/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3261174 0.86 MAPT (0.46) MEN1KMT2APOLBMAPTTP53
SCHEMBL3233065 0.82 MAPT (0.49) MEN1KMT2APOLBMAPTTP53
SCHEMBL3242774 0.81 MAPT (0.49) MEN1KMT2APOLBMAPTTP53
SCHEMBL8263174 0.75 MAPT (0.47) MEN1KMT2APOLBMAPTTP53
SCHEMBL6797121 0.73 GALR2 (0.54) MAPTTP53ALDH1A1CASP1HSD17B10
SCHEMBL8408048 0.72 SYK (0.40) MEN1KMT2APOLBMAPTTP53
SCHEMBL8408127 0.71 KMT2A (0.44) MEN1KMT2APOLBMAPTTP53
SCHEMBL8263323 0.71 GALR2 (0.59) MEN1KMT2APOLBMAPTTP53
SCHEMBL6358858 0.71 CYP3A4 (0.43) MEN1KMT2AMAPTMAPK1USP2
SCHEMBL6791198 0.70 CASP1 (0.57) MEN1KMT2AMAPTALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
EP-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
EP-2140862-A2 Use of GAL 3 receptor antagonists for the treatment of depression and /or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
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-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-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-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-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-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 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
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
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 (5 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-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 MEN1 4213/4885KMT2A 4393/4885POLB 4190/4885
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 MEN1 4213/4885KMT2A 4393/4885POLB 4190/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 MEN1 4030/4885KMT2A 4104/4885POLB 4328/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 MEN1 4128/4885KMT2A 4209/4885POLB 4525/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 MEN1 3898/4885KMT2A 4146/4885POLB 4317/4885

“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.