SCHEMBL25837938

SCHEMBL25837938

N#Cc1ccc([N+](=O)[O-])cc1[18F]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.59
ALDH1A1 P00352 7/20 0.52
HIF1A Q16665 1/20 0.52
LMNA P02545 5/20 0.51
TRPV4 Q9HBA0 1/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
XDH P47989 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL361867 1.00 VCAM1 (0.59) VCAM1ALDH1A1HIF1ALMNATRPV4
Fluoride SCHEMBL28618487 0.98 VCAM1 (0.57) VCAM1ALDH1A1HIF1ALMNATRPV4
SCHEMBL594390 0.85 VCAM1 (0.64) VCAM1ALDH1A1HIF1ALMNATSHR
SCHEMBL6153777 0.82 ALOX12 (0.50) VCAM1ALDH1A1LMNATRPV4SMN1; SMN2
SCHEMBL73860 0.82 VCAM1 (0.70) VCAM1ALDH1A1LMNATSHRGAA
Fluoride SCHEMBL28259583 0.81 VCAM1 (0.68) VCAM1ALDH1A1LMNATSHRGAA
SCHEMBL82629 0.79 VCAM1 (0.66) VCAM1ALDH1A1HIF1ALMNATSHR
SCHEMBL27621933 0.79 ALDH1A1 (0.58) VCAM1ALDH1A1HIF1ALMNATSHR
SCHEMBL2649443 0.78 VCAM1 (0.48) VCAM1ALDH1A1HIF1ALMNAGAA
SCHEMBL3173442 0.78 XDH (0.60) VCAM1ALDH1A1LMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115221-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION ADN METHOD FOR BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-11 US disclosed
US-11857352-B2 Positron imaging tomography imaging agent composition and method for bacterial infection THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
US-11857352-B2 Positron imaging tomography imaging agent composition and method for bacterial infection THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 US disclosed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 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 (3 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-11857352-B2 Positron imaging tomography imaging agent composition and method for bacterial infection SLC6A19, SLC1A5, TMEM14C VCAM1 2052/4885ALDH1A1 3952/4885HIF1A 1334/4885
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION TLR5, SLC10A2, FNTB VCAM1 935/4885ALDH1A1 3223/4885HIF1A 1578/4885
US-20240115221-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION ADN METHOD FOR BACTERIAL INFECTION SLC6A19, SLC1A5, FLNB VCAM1 1651/4885ALDH1A1 2596/4885HIF1A 2579/4885

“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.