SCHEMBL13446011

SCHEMBL13446011

CNC(=O)[C@@H](N)CCCCNC(=O)CN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.43
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ RRM1 P23921 1/20 0.38
▸ OTC P00480 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.34
▸ NOS1 P29475 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ S1PR2 O95136 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ SLC15A1 P46059 1/20 0.31
▸ ALB P02768 1/20 0.31

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
SCHEMBL13464207 0.85 OTC (0.52) CA2CA9OTCNOD1NOS1
SCHEMBL22691090 0.85 OTC (0.52) CA2CA9OTCNOD1NOS1
SCHEMBL13445977 0.85 OTC (0.52) CA2CA9OTCNOD1NOS1
SCHEMBL17430453 0.84 CA2 (0.39) DPP7GNAI3GNAO1GNAI1CA2
SCHEMBL25516983 0.81 NOS2 (0.39) DPP7GNAI3GNAO1GNAI1NOS1
SCHEMBL20528882 0.80 OTC (0.57) CA2CA9OTCNOD1NOS1
SCHEMBL21611915 0.80 OTC (0.48) CA2CA9OTCNOD1NOS1
SCHEMBL21611916 0.80 OTC (0.48) CA2CA9OTCNOD1NOS1
SCHEMBL26740124 0.80 CA2 (0.36) DPP7GNAI3GNAO1GNAI1CA2
SCHEMBL13887521 0.77 CA2 (0.48) CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293206-B2 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-10-23 — — US disclosed
US-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 — — 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-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment MKI67, CD47, CD68 DPP7 2795/4885GNAI3 340/4885GNAO1 1825/4885

“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.

Send feedback