SCHEMBL4453324

SCHEMBL4453324

S=C1NN(c2ccccc2)N(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GRK5 P34947 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PDE7A Q13946 1/20 0.35
PDE7B Q9NP56 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL9645320 0.64 CFTR (0.32) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL10630454 0.64 TDP1 (0.52) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL5012600 0.63 GAA (0.52) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL8979742 0.59 GAA (0.37) KDM4EGAAHPGDGSK3AGSK3B
SCHEMBL30116334 0.59 MGLL (0.44) ALDH1A1GAAMAPTTDP1GRK5
SCHEMBL10773382 0.59
SCHEMBL3257577 0.58 SIGMAR1 (0.58) KDM4EGAAMAPTTDP1MEN1
SCHEMBL9717767 0.58 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL9521015 0.58 CYP3A4 (0.43) KDM4EGAAMAPTTDP1GRK5
SCHEMBL21694447 0.58 MAPT (0.38) ALDH1A1KDM4EGAAMAPTTDP1

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-20080026486-A1 Assay Methods, Materials and Preparations AKUBIO LIMITED (GB) 2008-01-31 US claimed
EP-1799720-A1 ASSAY METHODS, MATERIALS AND PREPARATIONS Akubio Limited (GB) 2007-06-27 EP claimed
WO-2006027582-A1 ASSAY METHODS, MATERIALS AND PREPARATIONS AKUBIO LIMITED (GB) 2006-03-16 WO claimed
US-20090275721-A1 Coating Surfaces NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-11-05 US disclosed
EP-1996944-A1 IMPROVEMENTS IN OR RELATING TO COATING SURFACES Inverness Switzerland GmbH (CH) 2008-12-03 EP disclosed
US-20080026486-A1 Assay Methods, Materials and Preparations AKUBIO LIMITED (GB) 2008-01-31 US disclosed
WO-2007104994-A1 IMPROVEMENTS IN OR RELATING TO COATING SURFACES INVERNESS SWITZERLAND GMBH (CH) 2007-09-20 WO disclosed
EP-1799720-A1 ASSAY METHODS, MATERIALS AND PREPARATIONS Akubio Limited (GB) 2007-06-27 EP disclosed
WO-2006027582-A1 ASSAY METHODS, MATERIALS AND PREPARATIONS AKUBIO LIMITED (GB) 2006-03-16 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 (1 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-20080026486-A1 Assay Methods, Materials and Preparations SCLY, ZYX, TST ALDH1A1 2598/4885KDM4E 2313/4885GAA 2835/4885

“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.