SCHEMBL8091722

SCHEMBL8091722

Cc1ccc(N=C2C(=O)N(Cc3cccnc3)c3ccccc32)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CA12 O43570 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
GALR3 O60755 1/20 0.50
MAPT P10636 5/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
UBE2N P61088 1/20 0.44
ATM Q13315 1/20 0.44
CA1 P00915 2/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
KDR P35968 1/20 0.43
LRRK2 Q5S007 1/20 0.43
MEN1 O00255 1/20 0.41

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
SCHEMBL917252 0.91 GALR3 (0.61) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL917254 0.91 GALR3 (0.61) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL916613 0.85 KDM4E (0.55) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL916611 0.85 KDM4E (0.55) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL917553 0.85 ALDH1A1 (0.54) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL917552 0.85 ALDH1A1 (0.54) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL918014 0.78 GALR3 (0.63) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL918013 0.78 GALR3 (0.63) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL8165591 0.77 GALR3 (0.81) ALDH1A1PKMKDM4ECA12CA2
SCHEMBL8404733 0.77 ALDH1A1 (0.55) ALDH1A1PKMKDM4ECA2GALR3

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
US-20100179187-A1 INDOLONE COMPOUNDS USEFUL TO TREAT COGNITIVE IMPAIRMENT DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-07-15 US disclosed
US-7642281-B2 Indolone compounds useful to treat cognitive impairment HELICON THERAPEUTICS, INC. (US) 2010-01-05 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-20080039496-A1 Method of Modulating Neurite Outgrowth by the use of a Galanin-3 Receptor Antagonist HELICON THERAPEUTICS, INC. 2008-02-14 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-20070135510-A1 Indolone Compounds Useful To Treat Cognitive Impairment DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-06-14 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 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 (7 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 ALDH1A1 1921/4885PKM 1909/4885KDM4E 4396/4885
US-20080039496-A1 Method of Modulating Neurite Outgrowth by the use of a Galanin-3 Receptor Antagonist GALR3, GALR2, GAP43 ALDH1A1 3677/4885PKM 4500/4885KDM4E 4306/4885
US-20100179187-A1 INDOLONE COMPOUNDS USEFUL TO TREAT COGNITIVE IMPAIRMENT CHAT, AANAT, TPH2 ALDH1A1 2040/4885PKM 3600/4885KDM4E 2813/4885
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 ALDH1A1 1921/4885PKM 1909/4885KDM4E 4396/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 ALDH1A1 3303/4885PKM 3138/4885KDM4E 4395/4885
US-20070135510-A1 Indolone Compounds Useful To Treat Cognitive Impairment CHAT, AANAT, TPH2 ALDH1A1 2040/4885PKM 3600/4885KDM4E 2813/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 ALDH1A1 1882/4885PKM 1871/4885KDM4E 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.