SCHEMBL3569772

SCHEMBL3569772

Cc1nc2[c]cccc2cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
PARP1 P09874 7/20 0.43
IKBKB O14920 1/20 0.41
NNMT P40261 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RCE1 Q9Y256 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
LCK P06239 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3585656 0.81 IRAK1 (0.43) KDM4EPARP1IKBKBNNMTIRAK4
SCHEMBL11973582 0.78 PARP1 (0.36) KDM4EPARP1IKBKBNNMTALDH1A1
SCHEMBL3578539 0.78 IKBKB (0.38) KDM4EPARP1IKBKBIRAK4ALDH1A1
SCHEMBL3345725 0.77 KDM4E (0.47) KDM4EPARP1IKBKBNNMTALDH1A1
SCHEMBL31443745 0.73 IKBKB (0.67) KDM4EPARP1IKBKBNNMTIRAK4
SCHEMBL22388 0.73 IKBKB (0.67) KDM4EPARP1IKBKBNNMTIRAK4
SCHEMBL3583877 0.72 DGAT1 (0.36) KDM4EPARP1IKBKBALDH1A1SMN1; SMN2
SCHEMBL13835817 0.72 IKBKB (0.37) PARP1IKBKBALDH1A1GAAKMT2A
SCHEMBL28628579 0.71 SMN1; SMN2 (0.62) KDM4EPARP1IKBKBNNMTRCE1
SCHEMBL19329369 0.70 PIM1 (0.49) KDM4EPARP1NNMTALDH1A1GAA

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 19 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
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US claimed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO claimed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP claimed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO claimed
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 US disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 WO disclosed
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
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 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
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 (4 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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT KDM4E 2863/4885PARP1 70/4885IKBKB 2714/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 KDM4E 1342/4885PARP1 138/4885IKBKB 1633/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA KDM4E 3723/4885PARP1 1578/4885IKBKB 526/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KDM4E 4273/4885PARP1 2664/4885IKBKB 662/4885

“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.