SCHEMBL3840607

SCHEMBL3840607

N#Cc1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.64
XDH P47989 1/20 0.60
LMNA P02545 7/20 0.55
ALDH1A1 P00352 7/20 0.55
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.46
BCL6 P41182 1/20 0.44
BCOR Q6W2J9 1/20 0.44
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 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
SCHEMBL3173442 0.85 XDH (0.60) VCAM1XDHLMNAALDH1A1GAA
SCHEMBL16954097 0.83 VCAM1 (0.47) VCAM1XDHLMNAALDH1A1SMN1; SMN2
SCHEMBL73860 0.82 VCAM1 (0.70) VCAM1XDHLMNAALDH1A1GAA
Fluoride SCHEMBL28259583 0.81 VCAM1 (0.68) VCAM1XDHLMNAALDH1A1GAA
SCHEMBL698847 0.79 VCAM1 (0.66) VCAM1XDHLMNAALDH1A1GAA
SCHEMBL689735 0.79 VCAM1 (0.66) VCAM1XDHLMNAALDH1A1GAA
SCHEMBL10880668 0.78 VCAM1 (0.64) VCAM1XDHLMNAALDH1A1GAA
SCHEMBL594390 0.78 VCAM1 (0.64) VCAM1XDHLMNAALDH1A1GAA
SCHEMBL892830 0.78 VCAM1 (1.00) VCAM1XDHLMNAALDH1A1GAA
SCHEMBL1343971 0.78 VCAM1 (0.64) VCAM1XDHLMNAALDH1A1GAA

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
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
WO-2016160051-A1 MONOAZO DYES WITH CYCLIC AMINE AS FLUORESCENCE QUENCHERS ENZO BIOCHEM, INC. (US) 2016-10-06 WO disclosed
EP-1275630-B1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS INC (JP) 2009-10-07 EP disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
EP-1275630-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Mitsui Chemicals, Inc. (JP) 2003-01-15 EP disclosed
US-20020161227-A1 PROCESS FOR PREPARATION OF SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2002-10-31 US disclosed
US-6469224-B1 REACTING A PHOSPHAZENIUM COMPOUND WITH A HALOGENATED AROMATIC COMPOUNDS, ESPECIALLY CHLORINATED AROMATIC COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2002-10-22 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-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 VCAM1 4309/4885XDH 196/4885LMNA 2973/4885
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 VCAM1 787/4885XDH 2158/4885LMNA 4482/4885
US-20020161227-A1 PROCESS FOR PREPARATION OF SUBSTITUTED AROMATIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AFF1, PAH VCAM1 3204/4885XDH 396/4885LMNA 4102/4885

“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.