SCHEMBL13853299

SCHEMBL13853299

CC(C)(C)OC(=O)NCCCOCCOCCCNC(=O)CN=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 11/20 0.41
CA1 P00915 10/20 0.41
CA9 Q16790 8/20 0.41
CA12 O43570 7/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 1/20 0.36
HTT P42858 1/20 0.33
MIF P14174 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
SCHEMBL16274544 0.89 TDP1 (0.56) TDP1MEN1GAAKMT2ACA2
SCHEMBL25755474 0.88 TDP1 (0.48) TDP1MEN1GAAKMT2ACA2
SCHEMBL13658542 0.88 TDP1 (0.48) TDP1MEN1GAAKMT2ACA2
SCHEMBL25756209 0.85 TDP1 (0.48) TDP1MEN1GAAKMT2ACA2
SCHEMBL25756346 0.84 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL21106609 0.83 TDP1 (0.52) TDP1MEN1GAAKMT2ACA2
SCHEMBL25957539 0.83 TDP1 (0.52) TDP1MEN1GAAKMT2ACA2
SCHEMBL25770348 0.83 TDP1 (0.51) TDP1MEN1GAAKMT2ACA2
SCHEMBL24920306 0.82 TDP1 (0.43) TDP1MEN1GAAKMT2ACA2
SCHEMBL21065333 0.82 TDP1 (0.62) TDP1MEN1GAAKMT2ACA2

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-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 TDP1 4224/4885MEN1 222/4885GAA 101/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 TDP1 4224/4885MEN1 222/4885GAA 101/4885

“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.