SCHEMBL917552

SCHEMBL917552

O=C1/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc2N1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
PKM P14618 3/20 0.54
CA12 O43570 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
UBE2N P61088 1/20 0.48
ATM Q13315 1/20 0.48
LRRK2 Q5S007 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GALR3 O60755 1/20 0.44
CA1 P00915 2/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44

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
SCHEMBL917553 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL917254 0.87 GALR3 (0.61) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL917252 0.87 GALR3 (0.61) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL916613 0.85 KDM4E (0.55) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL916611 0.85 KDM4E (0.55) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL8091722 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL916909 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL916908 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL918013 0.81 GALR3 (0.63) ALDH1A1KDM4EPKMCA12CA2
SCHEMBL918014 0.81 GALR3 (0.63) ALDH1A1KDM4EPKMCA12CA2

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198313-B2 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-8198313-B2 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-8198313-B2 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (DK) 2012-06-12 US disclosed
US-20110178125-A1 USE OF GALR3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS KONKEL MICHAEL 2011-07-21 US disclosed
US-20110178125-A1 USE OF GALR3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS KONKEL MICHAEL 2011-07-21 US disclosed
US-20110178125-A1 USE OF GALR3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS KONKEL MICHAEL 2011-07-21 US disclosed
US-7868034-B2 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (DK) 2011-01-11 US disclosed
US-7868034-B2 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (DK) 2011-01-11 US disclosed
US-7868034-B2 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (DK) 2011-01-11 US disclosed
EP-2241316-A1 Indolone compounds useful to treat cognitive impairment Helicon Therapeutics, Inc. (US) 2010-10-20 EP 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-20040102507-A1 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (DK) 2004-05-27 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
WO-2004014307-A2 GAL3 ANTAGONISTS FOR THE TREATMENT OF NEUROPATHIC PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO 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-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 ALDH1A1 1921/4885KDM4E 4396/4885PKM 1909/4885
US-20110178125-A1 USE OF GALR3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS GALR3, GALR1, GALR2 ALDH1A1 2577/4885KDM4E 4009/4885PKM 2045/4885
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 ALDH1A1 1194/4885KDM4E 4371/4885PKM 3339/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 ALDH1A1 3303/4885KDM4E 4395/4885PKM 3138/4885
US-20040102507-A1 Use of GALR3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR1, GALR2 ALDH1A1 2577/4885KDM4E 4009/4885PKM 2045/4885

“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.