SCHEMBL3244053

SCHEMBL3244053

CNc1nc(N2CCN(c3ccccn3)CC2)nc(Nc2cc(F)c(F)c(F)c2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
CTNNB1 P35222 2/20 0.40
TCF7L2 Q9NQB0 2/20 0.40
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.39
HK1 P19367 1/20 0.39
RAB9A P51151 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
NOD2 Q9HC29 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
SCHEMBL3243362 0.86 KDM4E (0.47) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL3246409 0.84 KDM4E (0.43) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL3243368 0.82 MAPT (0.54) KDM4ESMN1; SMN2LMNAMAPTHSD17B10
SCHEMBL3247999 0.82 TNF (0.47) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL3244442 0.80 GALR2 (0.50) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL6783933 0.80 MEN1 (0.46) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL6791708 0.79 KDM4E (0.42) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL3247675 0.78 NPC1 (0.57) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL6790579 0.77 MEN1 (0.51) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL6798100 0.77 MEN1 (0.50) KDM4ESMN1; SMN2LMNAMAPTHPGD

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 KDM4E 4396/4885SMN1; SMN2 3933/4885LMNA 1768/4885
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 KDM4E 4396/4885SMN1; SMN2 3933/4885LMNA 1768/4885
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 KDM4E 4371/4885SMN1; SMN2 3182/4885LMNA 2398/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 KDM4E 3968/4885SMN1; SMN2 3652/4885LMNA 2170/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 KDM4E 4395/4885SMN1; SMN2 1308/4885LMNA 2883/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 KDM4E 4231/4885SMN1; SMN2 3560/4885LMNA 1798/4885

“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.