SCHEMBL8103717

SCHEMBL8103717

CCCc1ccccc1Nc1cc(N(C)C)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PHGDH O43175 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
HK1 P19367 1/20 0.37
RAB9A P51151 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
LCK P06239 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
SCHEMBL3262592 0.88 TSHR (0.42) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL3245980 0.85 MEN1 (0.45) DHFRKDM4EHSD17B10MAPTHPGD
SCHEMBL8088683 0.84 KDM4E (0.47) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL8263117 0.83 HKDC1 (0.43) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL3240238 0.82 KDM4E (0.42) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL3246488 0.82 MAPT (0.44) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL15038573 0.82 KDM4E (0.36) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL8097814 0.82 KDM4E (0.43) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL3240502 0.82 KMT2A (0.48) KDM4EHSD17B10MAPTHPGDTSHR
SCHEMBL3242654 0.80 GALR2 (0.53) KDM4EHSD17B10MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 DHFR 3047/4885KDM4E 4396/4885HSD17B10 1687/4885
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 DHFR 3047/4885KDM4E 4396/4885HSD17B10 1687/4885
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 DHFR 2939/4885KDM4E 4371/4885HSD17B10 1073/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 DHFR 3771/4885KDM4E 4395/4885HSD17B10 2723/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 DHFR 3515/4885KDM4E 4231/4885HSD17B10 1747/4885

“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.