SCHEMBL3576222

SCHEMBL3576222

CC(C)(C)OC(=O)NC1CCC(C(=O)Nc2ccnc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.46
JAK1 P23458 4/20 0.44
JAK2 O60674 2/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
EPHX2 P34913 1/20 0.42
KCNH2 Q12809 1/20 0.42
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
TNKS O95271 1/20 0.41
PDE10A Q9Y233 1/20 0.41
BTK Q06187 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL3576223 1.00 KDM4D (0.46) KDM4DJAK1JAK2KDM1AMAOB
SCHEMBL5266247 0.85 KCNH2 (0.58) JAK1JAK2KCNH2BTK
Ammonia Solution, Strong SCHEMBL6643042 0.84 KCNH2 (0.57) JAK1JAK2KCNH2BTK
SCHEMBL17981164 0.81 PTPN1 (0.56) PTPN1PTPN11HTR2CHTR2B
SCHEMBL21173533 0.81 CKS1B (0.56) KDM4DJAK1JAK2KDM1AMAOB
SCHEMBL28951767 0.80 PARP1 (0.53) PTPN1
SCHEMBL29862446 0.80 PARP1 (0.53) PTPN1
SCHEMBL28951768 0.80 PARP1 (0.53) PTPN1
SCHEMBL5636821 0.79 KCNH2 (0.57) JAK1JAK2KCNH2
SCHEMBL3195652 0.79 LMNA (0.44) JAK1KDM1AMAOBEPHX2BTK

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 6 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
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 (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 3745/4885JAK1 4758/4885JAK2 3578/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KDM4D 4463/4885JAK1 4767/4885JAK2 4631/4885

“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.