SCHEMBL3577407

SCHEMBL3577407

CON(C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C1)c1ccnc2cccnc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.32
SSTR4 P31391 7/20 0.32
KDM1A O60341 2/20 0.32
MAOB P27338 1/20 0.32
F2R P25116 1/20 0.32
KDM4E B2RXH2 4/20 0.32
SSTR1 P30872 3/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE10A Q9Y233 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
TYK2 P29597 1/20 0.30

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
SCHEMBL5260297 0.91 KDM4D (0.33) KDM4DKDM1AMAOBF2RKDM4E
SCHEMBL5636179 0.91 KDM4D (0.33) KDM4DKDM1AMAOBF2RKDM4E
SCHEMBL5636825 0.86 JAK1 (0.40) KDM4DKDM1AMAOBJAK2JAK1
SCHEMBL3577441 0.79 ALDH1A1 (0.35) KDM1AMAOBKDM4EALDH1A1HPGD
SCHEMBL5530322 0.79 ACACB (0.40) KDM4ETDP1
SCHEMBL633008 0.76 USP30 (0.42) KDM4EPDE10A
SCHEMBL5739690 0.73 NFKB1 (0.33) KDM4DKDM4EJAK2JAK1TDP1
SCHEMBL3577402 0.71 KCNH2 (0.47)
SCHEMBL5517577 0.69 KDM4E (0.40) KDM4E
SCHEMBL3586182 0.69 MAPT (0.39) KDM1AMAOBF2RKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA KDM4D 3745/4885SSTR4 3134/4885KDM1A 4262/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KDM4D 4463/4885SSTR4 3882/4885KDM1A 4534/4885

“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.