SCHEMBL6349798

SCHEMBL6349798

NC(=O)CCC(CF)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.36
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 5/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
TYMP P19971 3/20 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
SCHEMBL6349793 0.76 LMNA (0.43) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL296106 0.74 LMNA (0.48) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL28631127 0.72 LMNA (0.34) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL4398512 0.71 CA12 (0.56) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL8612973 0.70 LMNA (0.40) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL15570602 0.69 CA1 (0.42) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL8907824 0.68 LMNA (0.38) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL4319784 0.67 LMNA (0.61) LMNATHRBCYP2C19KMT2ACA12
[18F]Fluoromisonidazole SCHEMBL18401354 0.67 KMT2A (0.67) LMNATHRBCYP2C19KMT2ACA12
[18F]Fluoromisonidazole SCHEMBL13020421 0.67 KMT2A (0.67) LMNATHRBCYP2C19KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855828-B1 Detection of hypoxia THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-02-15 US disclosed
US-20050026974-A1 Detection of hypoxia TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2005-02-03 US disclosed
US-6252087-B1 COMPLEXING WITH A PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-06-26 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-20050026974-A1 Detection of hypoxia HIF1A, HIF1AN, HYOU1 LMNA 4407/4885THRB 3873/4885CYP2C19 3405/4885

“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.