SCHEMBL13895485

SCHEMBL13895485

[N-]=[N+]=NCCCCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
PTPN1 P18031 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
FABP4 P15090 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44

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
SCHEMBL15288850 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL13446629 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL16506913 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL25263751 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL13651619 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL25408049 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL13736453 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14129678 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL20626797 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL13866617 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099200-A1 RADIOLABELED PEPTIDES FOR NON-INVASIVE DIAGNOSIS AND TREATMENT OF CXCR4 EXPRESSING TUMORS ISTITUTO NAZIONALE TUMORI IRCCS - FONDAZIONE G. PASCALE (IT) 2023-03-30 US claimed
EP-4081263-A1 RADIOLABELED PEPTIDES FOR NON-INVASIVE DIAGNOSIS AND TREATMENT OF CXCR4 EXPRESSING TUMORS Istituto Nazionale Tumori IRCCS - Fondazione G. Pascale (IT) 2022-11-02 EP claimed
CN-115703736-B Multi-target inhibitor targeting HDAC and NAD synthesis and application thereof 中国海洋大学 2025-05-16 CN disclosed
CN-119930717-A 1-Triazole ribose derivative and preparation method and application thereof 上海泓博智源医药股份有限公司 2025-05-06 CN disclosed
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR OCEAN UNIVERSITY OF CHINA (CN) 2024-10-03 US disclosed
EP-4093730-B1 HDAC DEGRADER UNIV LEICESTER (GB) 2024-05-08 EP disclosed
US-20230120211-A1 HDAC Degrader UNIVERSITY OF LEICESTER (GB) 2023-04-20 US disclosed
US-20230099200-A1 RADIOLABELED PEPTIDES FOR NON-INVASIVE DIAGNOSIS AND TREATMENT OF CXCR4 EXPRESSING TUMORS ISTITUTO NAZIONALE TUMORI IRCCS - FONDAZIONE G. PASCALE (IT) 2023-03-30 US disclosed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 WO disclosed
EP-4093730-A1 HDAC DEGRADER University of Leicester (GB) 2022-11-30 EP disclosed
EP-4081263-A1 RADIOLABELED PEPTIDES FOR NON-INVASIVE DIAGNOSIS AND TREATMENT OF CXCR4 EXPRESSING TUMORS Istituto Nazionale Tumori IRCCS - Fondazione G. Pascale (IT) 2022-11-02 EP disclosed
WO-2013148189-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-03 WO disclosed
WO-2013052851-A1 METHODS AND COMPOSITIONS FOR POLYPEPTIDE AND PROTEIN LABELING USING LIPOIC ACID LIGASES SPECIFIC TO RESORUFIN MASSACHUSETTS INISTITUTE OF TECHNOLOGY (US) 2013-04-11 WO disclosed
WO-2012152807-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2012-11-15 WO disclosed
WO-2012152807-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2012-11-15 WO disclosed
US-20120214201-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-23 US disclosed
US-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 US disclosed
WO-2012050868-A1 HISTONE DEACETYLASE (HDAC) INHIBITORS TARGETING PROSTATE TUMORS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2012-04-19 WO disclosed
US-20090149631-A1 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-11 US disclosed
WO-2009064366-A2 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-05-22 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 (5 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-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES LARS1, ACSL5, RARS1 TSHR 4037/4885LMNA 1218/4885NFKB1 539/4885
US-20230120211-A1 HDAC Degrader HDAC1, HDAC11, HDAC3 TSHR 3130/4885LMNA 2619/4885NFKB1 1284/4885
US-20230099200-A1 RADIOLABELED PEPTIDES FOR NON-INVASIVE DIAGNOSIS AND TREATMENT OF CXCR4 EXPRESSING TUMORS CXCR4, ACKR3, CXCL12 TSHR 550/4885LMNA 4333/4885NFKB1 1474/4885
US-20090149631-A1 Methods and compositions for protein labeling using lipoic acid ligases HLCS, ACSL5, ACSL1 TSHR 4081/4885LMNA 530/4885NFKB1 846/4885
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR HDAC3, HDAC1, HDAC11 TSHR 2469/4885LMNA 867/4885NFKB1 2242/4885

“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.