SCHEMBL6968546

SCHEMBL6968546

COC(=O)CCn1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
TXNRD1 Q16881 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL6975296 0.92 LMNA (0.49) ELANELMNARECQLRAD52ALDH1A1
SCHEMBL6980198 0.86 ELANE (0.55) ELANELMNARECQLRAD52ALDH1A1
SCHEMBL13075495 0.80 RECQL (0.49) ELANELMNARECQLRAD52ALDH1A1
SCHEMBL20945000 0.79 NPSR1 (0.49) ELANELMNARECQLRAD52ALDH1A1
SCHEMBL16918355 0.79 KDM4E (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2AKDM4E
SCHEMBL2868944 0.78 ALDH1A1 (0.47) LMNAALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL19172759 0.78 RECQL (0.47) ELANELMNARECQLRAD52ALDH1A1
SCHEMBL6969610 0.78 RECQL (0.47) ELANELMNARECQLRAD52ALDH1A1
SCHEMBL20945137 0.77 PARP1 (0.49) ELANEALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL20945317 0.77 RAD52 (0.48) ELANELMNARECQLRAD52ALDH1A1

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-20030181498-A1 Bicyclic heteroaryl compounds as inhibitors of the interaction between the integrin alpha4beta1 receptor and vcam-1 and/or fibronectin ASTRAZENECA AB (SE) 2003-09-25 US disclosed
EP-1272487-A1 BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001053295-A1 BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN ASTRAZENECA AB (SE) 2001-07-26 WO 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-20030181498-A1 Bicyclic heteroaryl compounds as inhibitors of the interaction between the integrin alpha4beta1 receptor and vcam-1 and/or fibronectin VCAM1, FN1, ITGA4 ELANE 1055/4885LMNA 2210/4885RECQL 4584/4885

“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.