SCHEMBL449675

SCHEMBL449675

COc1cc2nc(CCN3C(=O)N=NC3=O)c(=O)n(C)c2cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
MAPT P10636 1/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.33
PGK1 P00558 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S100B P04271 1/20 0.33
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL30690930 1.00 HDAC6 (0.37) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL21523292 0.81 HDAC6 (0.39) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL29600727 0.80 ALDH1A1 (0.40) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL22401705 0.80 ALDH1A1 (0.40) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL571871 0.80 ALDH1A1 (0.40) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL29751992 0.76 HDAC6 (0.44) HDAC6MAPTALDH1A1KDM4ETSHR
SCHEMBL10808616 0.70 KDM4E (0.41) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10808625 0.70 ALDH1A1 (0.41) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10479158 0.69 MAPT (0.52) HDAC6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL9570124 0.68 RAB9A (0.40) HDAC6MAPTSMN1; SMN2PGK1HSD17B10

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 126 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
WO-2023155000-A1 HIGH THROUGHPUT RAPID SCREENING OF VITAMIN D MCMASTER UNIVERSITY (CA) 2023-08-24 WO 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
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-9506937-B2 Mass spectrometry of steroidal compounds in multiplexed patient samples QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2016-11-29 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

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 HDAC6 2310/4885MAPT 2875/4885ALDH1A1 1445/4885

“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.