SCHEMBL7566536

SCHEMBL7566536

C=CCNOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.45
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39
AGXT P21549 1/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11422710 0.80 NPC1 (0.46) HRASTSHRNPC1RAB9AALDH1A1
SCHEMBL10392563 0.77 HRAS (0.42) HRASTSHRNPC1RAB9AALDH1A1
SCHEMBL9408911 0.77 HRAS (0.42) HRASTSHRNPC1RAB9AALDH1A1
SCHEMBL3930158 0.77 HRAS (0.49) HRASTSHRNPC1RAB9AALDH1A1
SCHEMBL326199 0.75 RAB9A (0.54) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL9100722 0.75 TSHR (0.46) HRASTSHRNPC1RAB9AALDH1A1
SCHEMBL206646 0.74 HRAS (0.65) HRASTSHRNPC1RAB9AKDM4E
SCHEMBL1983662 0.72 HRAS (0.49) HRASTSHRGAANPC1RAB9A
Hydrochloric Acid SCHEMBL6967279 0.72 HRAS (0.62) HRASTSHRGAANPC1RAB9A
SCHEMBL10776729 0.72 HRAS (0.68) HRASTSHRGAANPC1RAB9A

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
EP-2970154-B1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS US HEALTH (US) 2021-07-07 EP disclosed
US-10137212-B2 Tetrahydroxamate chelators of zirconium89 and niobium90 for use in diagnostic applications THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-27 US disclosed
US-20160022844-A1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS The USA, as represented by the secretary, Department of Health & Human Service (US) 2016-01-28 US disclosed
EP-2970154-A1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2016-01-20 EP disclosed
WO-2014164988-A1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-09 WO disclosed
EP-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 EP disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 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-20160022844-A1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS SLC39A3, SLC39A11, SLC39A7 HRAS 3761/4885TSHR 87/4885GAA 855/4885
US-10137212-B2 Tetrahydroxamate chelators of zirconium89 and niobium90 for use in diagnostic applications SLC39A3, SLC39A11, SLC39A7 HRAS 3761/4885TSHR 87/4885GAA 855/4885

“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.