SCHEMBL18858993

SCHEMBL18858993

Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.47
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
NCF1 P14598 2/20 0.33
DPP4 P27487 1/20 0.33
FSHR P23945 2/20 0.33
CHRNA7 P36544 2/20 0.32
LHCGR P22888 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MAPK14 Q16539 3/20 0.31
DRD2 P14416 5/20 0.31
DRD4 P21917 2/20 0.30
DRD3 P35462 2/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 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
SCHEMBL27017059 0.99 MGMT (0.45) MGMTMMP2MMP9MMP8MMP13
SCHEMBL18858999 0.83 OPRM1 (0.43) MGMTMMP2MMP9MMP8MMP13
SCHEMBL26448941 0.81 MMP2 (0.41) MGMTMMP2MMP9MMP8MMP13
SCHEMBL20046973 0.81 MMP2 (0.47) MGMTMMP2MMP9MMP8MMP13
SCHEMBL24569987 0.80 MGMT (0.44) MGMTMMP2MMP9MMP8MMP13
SCHEMBL15932535 0.79 MMP2 (0.46) MGMTMMP2MMP9MMP8MMP13
SCHEMBL20047063 0.79 MGMT (0.43) MGMTMMP2MMP9MMP8MMP13
SCHEMBL15281111 0.79 CHRNA7 (0.38) NCF1DPP4CHRNA7MAPK14DRD2
SCHEMBL17586038 0.79 CHRNA7 (0.38) NCF1DPP4CHRNA7MAPK14DRD2
SCHEMBL18850692 0.79 CHRNA7 (0.38) NCF1DPP4CHRNA7MAPK14DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137389-A1 LINKER MOLECULE FOR MULTIPLEX RECOGNITION BY ATOMIC FORCE MICROSCOPY (AFM) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-05-18 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 (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-20170137389-A1 LINKER MOLECULE FOR MULTIPLEX RECOGNITION BY ATOMIC FORCE MICROSCOPY (AFM) EPCAM, ILK, DYNLL2 MGMT 3328/4885MMP2 1984/4885MMP9 2958/4885

“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.