SCHEMBL1816083

SCHEMBL1816083

N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.61
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAD51 Q06609 1/20 0.44
XDH P47989 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 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
SCHEMBL19552247 0.87 VCAM1 (0.57) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL19071888 0.84 VCAM1 (0.57) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL18545709 0.82 VCAM1 (0.58) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2543816 0.81 VCAM1 (0.54) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3860770 0.81 VCAM1 (0.54) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2539773 0.80 VCAM1 (0.53) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL73860 0.77 VCAM1 (0.70) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL20380048 0.77 VCAM1 (0.49) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL1817485 0.76 HSD17B10 (0.60) VCAM1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL17259 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478188-A Fluorescent probe and preparation method and application thereof 澳门大学 2023-07-25 CN claimed
CN-116478188-A Fluorescent probe and preparation method and application thereof 澳门大学 2023-07-25 CN disclosed
US-8709721-B2 Fluorescent molecule and method for detecting target nucleic acid RIKEN (JP) 2014-04-29 US disclosed
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
EP-2484671-A1 FLUORESCENT MOLECULE AND METHOD FOR DETECTING TARGET NUCLEIC ACID Riken (JP) 2012-08-08 EP disclosed
US-20120196377-A1 FLUORESCENT MOLECULE AND METHOD FOR DETECTING TARGET NUCLEIC ACID RIKEN (JP) 2012-08-02 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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 (2 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD VCAM1 1484/4885ALDH1A1 4190/4885LMNA 3490/4885
US-20120196377-A1 FLUORESCENT MOLECULE AND METHOD FOR DETECTING TARGET NUCLEIC ACID DNTT, POLL, POLRMT VCAM1 3028/4885ALDH1A1 462/4885LMNA 142/4885

“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.