SCHEMBL3574115

SCHEMBL3574115

COc1nc2[c]cccc2nc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
SQOR Q9Y6N5 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
NNMT P40261 1/20 0.32
LCK P06239 1/20 0.32
MAP2K3 P46734 1/20 0.32
MAP2K6 P52564 1/20 0.32
BTK Q06187 1/20 0.32
MAP3K19 Q56UN5 1/20 0.32
NEK10 Q6ZWH5 1/20 0.32

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
SCHEMBL3583877 0.81 DGAT1 (0.36) IKBKBKDM4ELCKMAP2K3MAP2K6
SCHEMBL5189809 0.80 HDAC6 (0.50) IKBKBHDAC6L3MBTL1KDM4ELCK
SCHEMBL3583270 0.78 DGAT1 (0.36) IKBKBKDM4ELCKMAP2K3MAP2K6
SCHEMBL3585656 0.74 IRAK1 (0.43) IKBKBIRAK4POLBKDM4ENNMT
SCHEMBL5265677 0.73 IRAK4 (0.44) IKBKBIRAK4POLBKDM4ECDK9
SCHEMBL9703955 0.68 HRH4 (0.43) IKBKBPOLBKDM4ENNMTALDH1A1
SCHEMBL31137919 0.66 ALDH1A1 (0.67) HDAC6L3MBTL1POLBKDM4ECDK9
SCHEMBL5717618 0.66 ALDH1A1 (0.67) HDAC6L3MBTL1POLBKDM4ECDK9
SCHEMBL11973582 0.66 PARP1 (0.36) IKBKBL3MBTL1POLBKDM4ENNMT
SCHEMBL3581385 0.66 NNMT (0.37) POLBKDM4ECDC7CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP claimed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO claimed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 WO disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B IKBKB 1282/4885HDAC6 856/4885L3MBTL1 822/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA IKBKB 526/4885HDAC6 1813/4885L3MBTL1 797/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS IKBKB 662/4885HDAC6 1559/4885L3MBTL1 495/4885

“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.