SCHEMBL3243368

SCHEMBL3243368

CNc1nc(N2CCN(c3ccccn3)CC2)nc(Nc2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BRAF P15056 1/20 0.48
IDH2 P48735 5/20 0.47
CTSC P53634 3/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LRRK2 Q5S007 1/20 0.43
POLB P06746 1/20 0.43
MTOR P42345 1/20 0.43
SMG1 Q96Q15 1/20 0.43

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
SCHEMBL3244442 0.86 GALR2 (0.50) MAPTLMNAALDH1A1HSD17B10CTSC
SCHEMBL3244053 0.82 KDM4E (0.46) MAPTLMNAALDH1A1HSD17B10L3MBTL1
SCHEMBL3243362 0.79 KDM4E (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3247999 0.78 TNF (0.47) MAPTLMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6791708 0.78 KDM4E (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL8096610 0.78 MAPT (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1391447 0.77 MAPT (0.56) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6783933 0.77 MEN1 (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3246409 0.75 KDM4E (0.43) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3247675 0.74 NPC1 (0.57) MAPTMEN1KMT2ALMNAALDH1A1

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 10 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-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-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-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-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 MAPT 3040/4885MEN1 4213/4885KMT2A 4393/4885
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 MAPT 3040/4885MEN1 4213/4885KMT2A 4393/4885
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative GALR3, GALR2, GALR1 MAPT 1723/4885MEN1 3067/4885KMT2A 3428/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 MAPT 3133/4885MEN1 4030/4885KMT2A 4104/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 MAPT 3177/4885MEN1 4128/4885KMT2A 4209/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 MAPT 2990/4885MEN1 3898/4885KMT2A 4146/4885

“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.