SCHEMBL3244055

SCHEMBL3244055

CN(C)c1cc(Nc2cccc(Br)c2)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGFR P00533 5/20 0.40
CSNK2A1 P68400 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PHGDH O43175 1/20 0.38
NPC1 O15118 1/20 0.38
HK1 P19367 1/20 0.38
RAB9A P51151 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6351840 0.89 LMNA (0.43) TP53KDM4ELMNAMAPTHPGD
SCHEMBL3240215 0.88 KDM4E (0.42) TP53KDM4ELMNAMAPTHPGD
SCHEMBL3247480 0.88 LMNA (0.51) TP53KDM4ELMNAMAPTHPGD
SCHEMBL3792070 0.88 KDM4E (0.51) TP53KDM4ELMNAMAPTHPGD
SCHEMBL3240471 0.86 MAPT (0.43) TP53KDM4ELMNAMAPTHPGD
SCHEMBL3247288 0.86 GALR1 (0.55) LMNAMAPTEGFRNPC1GALR2
SCHEMBL3789758 0.86 PANK3 (0.42) TP53KDM4ELMNAMAPTHPGD
SCHEMBL8096610 0.85 MAPT (0.53) KDM4ELMNAMAPTSMN1; SMN2HSD17B10
SCHEMBL3247206 0.85 DRD2 (0.43) TP53KDM4ELMNAMAPTHPGD
SCHEMBL3247614 0.85 MAPT (0.45) TP53KDM4ELMNAMAPTHPGD

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 24 patents — showing the first 20. 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-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-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-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-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 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

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 ATM 3748/4885TP53 4716/4885KDM4E 4396/4885
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 ATM 3748/4885TP53 4716/4885KDM4E 4396/4885
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 ATM 4719/4885TP53 4416/4885KDM4E 4371/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 ATM 4134/4885TP53 4734/4885KDM4E 3968/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 ATM 4426/4885TP53 4516/4885KDM4E 4395/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 ATM 4002/4885TP53 4756/4885KDM4E 4231/4885

“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.