SCHEMBL517098

SCHEMBL517098

O=c1[nH][nH]c(=O)n1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
GAA P10253 2/20 0.52
SIRT6 Q8N6T7 2/20 0.49
SCN2A Q99250 1/20 0.49
ADRB1 P08588 1/20 0.49
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PLEC Q15149 1/20 0.46
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 2/20 0.44
RECQL P46063 1/20 0.44
KAT2B Q92831 1/20 0.44
ACHE P22303 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL21219645 0.85 SIRT6 (0.46) GSK3AGSK3BGAASIRT6SCN2A
SCHEMBL9187712 0.81 GSK3A (0.56) GSK3AGSK3BGAASIRT6SCN2A
SCHEMBL5328812 0.78 HPN (0.58) GSK3AGSK3BGAASCN2AMAPT
SCHEMBL11768509 0.77 MAPT (0.57) GSK3AGSK3BGAASIRT6SCN2A
SCHEMBL25989164 0.74 CA12 (0.53) GSK3AGSK3BGAASCN2AMAPT
SCHEMBL11078565 0.74 TDP1 (0.59) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL28604247 0.73 HSD17B10 (0.56) GSK3AGSK3BSIRT6SCN2AADRB1
SCHEMBL12490798 0.73 APOBEC3G (0.50) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL22567 0.72 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL27909482 0.72 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPK1HSD17B10

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12607640-B2 Mass spectrometry of steroidal compounds in multiplex samples QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2026-04-21 US claimed
US-20250216404-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVEST LLC (US) 2025-07-03 US claimed
US-20230375575-A1 MASS SPECTROMETRY OF STEROIDAL COMPOUNDS IN MULTIPLEX SAMPLES QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2023-11-23 US claimed
US-11808773-B2 Mass spectrometry of steroidal compounds in multiplexed patient samples QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2023-11-07 US claimed
US-20210349109-A1 MASS SPECTROMETRY OF STEROIDAL COMPOUNDS IN MULTIPLEXED PATIENT SAMPLES QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2021-11-11 US claimed
US-10955424-B2 Mass spectrometry of steroidal compounds in multiplexed patient samples QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2021-03-23 US claimed
EP-3693734-A2 MASS SPECTROMETRY OF STEROIDAL COMPOUNDS IN MULTIPLEX SAMPLES Quest Diagnostics Investments Incorporated (US) 2020-08-12 EP claimed
CN-107607662-B Mass spectrometry of steroids in multiplex samples 奎斯特诊断投资公司 2020-05-08 CN claimed
EP-2510347-B1 MASS SPECTROMETRY OF STEROIDAL COMPOUNDS IN MULTIPLEX SAMPLES QUEST DIAGNOSTICS INVEST INC (US) 2019-03-20 EP claimed
US-20170261523-A1 MASS SPECTROMETRY OF STEROIDAL COMPOUNDS IN MULTIPLEXED PATIENT SAMPLES QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2017-09-14 US claimed
US-20160061848-A1 MASS SPECTROMETRY OF STEROIDAL COMPOUNDS IN MULTIPLEXED PATIENT SAMPLES QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2016-03-03 US claimed
US-9034653-B2 Mass spectrometry of steroidal compounds in multiplexed patient samples QUEST DIAGNOSTICS INVESTMENTS INC. (US) 2015-05-19 US claimed
US-20140051176-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2014-02-20 US claimed
US-20130137185-A1 MASS SPECTROMETRY OF STEROIDAL COMPOUNDS IN MULTIPLEXED PATIENT SAMPLES QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2013-05-30 US claimed
US-20110240840-A1 MASS SPECTROMETRIC DETERMINATION OF COOKSON-DERIVATIZED, NON-METABOLIZED VITAMIN D QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-10-06 US claimed
US-20110226944-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-09-22 US claimed
US-7977117-B2 Vitamin D metabolite determination utilizing mass spectrometry following derivatization Quest Diagnostics Investments Incorprated (US) 2011-07-12 US claimed
US-20110133068-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVESTMENTS LLC 2011-06-09 US claimed
WO-2011068707-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2011-06-09 WO claimed
WO-1990000897-A1 METHOD FOR THE CONTROL OF HYPERLIPIDEMIA UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1990-02-08 WO claimed

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-12607640-B2 Mass spectrometry of steroidal compounds in multiplex samples CYP24A1, CYP2R1, SRD5A1 GSK3A 719/4885GSK3B 788/4885GAA 4777/4885

“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.