SCHEMBL9617518

SCHEMBL9617518

CNP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
LMNA P02545 1/20 0.47
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CFTR P13569 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
ALOX12 P18054 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6428351 0.79 CA2 (0.46) CA2CA4CA5ALMNAESR1
SCHEMBL524346 0.78 CA2 (0.50) CA2CA4CA5ALMNAESR1
SCHEMBL13109422 0.78 CA2 (0.50) CA2CA4CA5ALMNAESR1
Potassium SCHEMBL30627046 0.76 CA2 (0.48) CA2CA4CA5ALMNAESR1
SCHEMBL30604627 0.76 CA2 (0.48) CA2CA4CA5ALMNAESR1
SCHEMBL524587 0.74 CA2 (0.46) CA2CA4CA5ALMNAESR1
SCHEMBL647195 0.74 CA2 (0.52) CA2CA4CA5ALMNAESR1
SCHEMBL27300024 0.74 CA2 (0.46) CA2CA4CA5ALMNAESR1
Triphenylphosphine Oxide SCHEMBL3949 0.74 CA2 (0.58) CA2CA4CA5ALMNAESR1
Triphenylphosphine Oxide SCHEMBL513223 0.74 CA2 (0.58) CA2CA4CA5ALMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4247093-A None JP disclosed
US-8748369-B2 Use of targeted nitroxide agents in bone healing UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-06-10 US disclosed
US-8748369-B2 Use of targeted nitroxide agents in bone healing UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-06-10 US disclosed
US-20120252733-A1 USE OF TARGETED NITROXIDE AGENTS IN BONE HEALING UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-04 US disclosed
US-20120252733-A1 USE OF TARGETED NITROXIDE AGENTS IN BONE HEALING UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-04 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
JP-H04247093-A PHOSPHINIC ACID AMIDE DERIVATIBE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE HOKKO CHEM IND CO LTD 1992-09-03 JP 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-20120252733-A1 USE OF TARGETED NITROXIDE AGENTS IN BONE HEALING NME4, TFAM, COX5B CA2 1880/4885CA4 3498/4885CA5A 239/4885

“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.