SCHEMBL3241000

SCHEMBL3241000

Clc1cc(Cl)nc(Nc2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
MAPK1 P28482 2/20 0.67
NFKB1 P19838 1/20 0.67
LMNA P02545 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 1/20 0.51
KCNH3 Q9ULD8 3/20 0.50
CDK2 P24941 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CHEK1 O14757 1/20 0.50
IKBKB O14920 1/20 0.50
AURKA O14965 1/20 0.50
PDPK1 O15530 1/20 0.50
CHEK2 O96017 1/20 0.50
PRKCG P05129 1/20 0.50

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
SCHEMBL3708228 0.87 TAAR1 (0.61) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL3289041 0.85 MAPT (0.55) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9795905 0.82 VSIR (0.54) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL3244058 0.82 TAAR1 (0.69) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9323164 0.82 MAPT (0.51) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9277726 0.82 MAPT (0.51) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9017592 0.81 MAPT (0.50) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL633400 0.81 MEN1 (0.77) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL113103 0.80 NFKB1 (1.00) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL1923883 0.80 MAPT (1.00) MAPTKMT2AMEN1MAPK1NFKB1

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 16 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
EP-1363638-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS Synaptic Pharmaceutical Corporation (US) 2003-11-26 EP 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
WO-2002060392-A2 USE OF GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-08-08 WO disclosed
US-4988704-A Pyrimidine fungicides for plants KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-29 US disclosed
EP-0224339-B1 PYRIMIDINE DERIVATIVE, PROCESS FOR PREPARING SAME AND AGRICULTURAL OR HORTICULTURAL FUNGICIDAL COMPOSITION CONTAINING SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-02 EP disclosed
US-4814338-A ANILINO PYRIMIDINE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-03-21 US disclosed
EP-0224339-A2 Pyrimidine derivative, process for preparing same and agricultural or horticultural fungicidal composition containing same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-06-03 EP 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 MAPT 3040/4885KMT2A 4393/4885MEN1 4213/4885
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 MAPT 3040/4885KMT2A 4393/4885MEN1 4213/4885
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 MAPT 1723/4885KMT2A 3428/4885MEN1 3067/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 MAPT 3133/4885KMT2A 4104/4885MEN1 4030/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 MAPT 3177/4885KMT2A 4209/4885MEN1 4128/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 MAPT 2990/4885KMT2A 4146/4885MEN1 3898/4885

“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.