SCHEMBL2199529

SCHEMBL2199529

O=C1NCCN1c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
EIF2AK2 P19525 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MGLL Q99685 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGB8 P26012 1/20 0.39
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
LMNA P02545 2/20 0.38
DDB1 Q16531 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
SCHEMBL2303527 0.82 GAA (0.45) KMT2APKMLMNAALDH1A1MEN1
SCHEMBL305860 0.82 ALDH1A1 (0.55) EIF2AK2MAPK1MGLLTDP1LMNA
SCHEMBL4667907 0.82 EIF2AK2 (0.39) KMT2AEIF2AK2ITGB3ITGB1ITGAV
SCHEMBL4712786 0.82 DDB1 (0.56) KMT2AEIF2AK2MAPK1NPSR1TDP1
SCHEMBL19604817 0.80 EIF2AK2 (0.39) KMT2AEIF2AK2ITGB3ITGB1ITGAV
SCHEMBL4056377 0.80 GLA (0.41) EIF2AK2NPSR1MGLLITGB3ITGB1
SCHEMBL2883318 0.80 ADRB1 (0.47) KMT2APKMMGLLPOLBMEN1
SCHEMBL2723456 0.80 HTR3E (0.47) KMT2AEIF2AK2MGLLITGB3ITGB1
SCHEMBL4626160 0.80 FAAH (0.41) KMT2AEIF2AK2MGLLITGB3ITGB1
SCHEMBL3858961 0.80 EIF2AK2 (0.39) KMT2AEIF2AK2ITGB3ITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
EP-1654254-A4 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-12-31 EP disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20080027117-A1 Antifungal Azole Derivatives Having a Fluorovinyl Moiety and Process for the Preparation Thereof KOREA RESERACH INSTIITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-01-31 US disclosed
EP-1781620-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-09 EP disclosed
EP-1654254-A1 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2006-05-10 EP disclosed
WO-2005108373-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 WO disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005014583-A1 ANTIFUNGAL AZOLE DERIVATIVES HAVING A FLUOROVINYL MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-02-17 WO 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 (3 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-20080027117-A1 Antifungal Azole Derivatives Having a Fluorovinyl Moiety and Process for the Preparation Thereof ERG28, CYP51A1, CYP4F8 KMT2A 700/4885EIF2AK2 1480/4885HSP90AA1 3351/4885
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 KMT2A 4664/4885EIF2AK2 4711/4885HSP90AA1 4019/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 KMT2A 4664/4885EIF2AK2 4711/4885HSP90AA1 4019/4885

“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.