SCHEMBL16247191

SCHEMBL16247191

O=C(O)CCSSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 6/20 0.50
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL29528196 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETDP1LMNA
Hydrogen Sulfide SCHEMBL21332270 0.99 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL21332271 0.97 MAPT (0.48) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL1137313 0.93 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL14028790 0.89 KDM4E (0.45) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL20471548 0.85 TDP1 (0.42) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL16541405 0.85 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL17583237 0.85 KDM4E (0.49) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL18700363 0.84 KMT2A (0.43) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL16456689 0.83 CXCR1 (0.51) ALDH1A1MAPTKDM4ETDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049622-B2 Targeted transposition for use in epigenetic studies ACTIVE MOTIF, INC. (US) 2024-07-30 US disclosed
US-11850287-B2 Heterocyclic acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER SEARCH (OICR) (CA) 2023-12-26 US disclosed
US-20230330244-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-10-19 US disclosed
US-20230330244-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-10-19 US disclosed
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
EP-2999784-B2 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES ACTIVE MOTIF INC (US) 2022-11-23 EP disclosed
US-20220356465-A1 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES MIDCAP FINANCIAL TRUST 2022-11-10 US disclosed
US-20220313832-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-10-06 US disclosed
EP-3983405-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2022-04-20 EP disclosed
US-11306307-B2 Targeted transposition for use in epigenetic studies ACTIVE MOTIF, INC. (US) 2022-04-19 US disclosed
EP-3720842-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF Ontario Institute For Cancer Research (CA) 2020-10-14 EP disclosed
US-20200299678-A1 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES ACTIVE MOTIF, INC. (US) 2020-09-24 US disclosed
EP-3712267-A1 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES Active Motif, Inc. (US) 2020-09-23 EP disclosed
US-10689643-B2 Targeted transposition for use in epigenetic studies ACTIVE MOTIF, INC. (US) 2020-06-23 US disclosed
WO-2019170710-A2 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND -PHOSPHONATES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 WO disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 WO disclosed
US-20180010121-A9 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES ACTIVE MOTIF, INC. (US) 2018-01-11 US disclosed
US-20160115474-A1 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES ACTIVE MOTIF, INC. (US) 2016-04-28 US disclosed
EP-2999784-A1 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES Active Motif, Inc. (US) 2016-03-30 EP disclosed
WO-2014190214-A1 TARGETED TRANSPOSITION FOR USE IN EPIGENETIC STUDIES ACTIVE MOTIF, INC. (US) 2014-11-27 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 (4 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-20220313832-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF NAMPT, NAPRT, NNT ALDH1A1 593/4885MAPT 193/4885KDM4E 3925/4885
US-20230330244-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF NAMPT, NAPRT, NNT ALDH1A1 610/4885MAPT 200/4885KDM4E 3993/4885
US-11850287-B2 Heterocyclic acyl hydrazone linkers, methods and uses thereof HDAC6, C9, AADAC ALDH1A1 178/4885MAPT 2025/4885KDM4E 1071/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 ALDH1A1 169/4885MAPT 3082/4885KDM4E 2328/4885

“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.