SCHEMBL7017757

SCHEMBL7017757

CCOC(=O)c1cc(C)[nH]c(=O)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
GLA P06280 1/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.51
MDM2 Q00987 1/20 0.51
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL9261143 0.77 ALDH1A1 (0.73) KDM4EGLAATMKMT2AALDH1A1
SCHEMBL3420238 0.77 KDM4E (0.64) KDM4EGLAATMKMT2AALDH1A1
SCHEMBL31220944 0.76 MAPT (0.46) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL22902399 0.76 KDM4E (0.62) KDM4EGLAATMKMT2AALDH1A1
SCHEMBL9673024 0.75 KDM4E (1.00) KDM4EGLAATMKMT2AALDH1A1
SCHEMBL6137195 0.75 MAPT (0.48) SMN1; SMN2KMT2AALDH1A1MAPTPOLB
SCHEMBL4717450 0.74 POLB (0.50) KDM4EATMSMN1; SMN2KMT2AALDH1A1
SCHEMBL5050015 0.74 ALDH1A1 (0.53) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL3212436 0.73 MEN1 (0.47) SMN1; SMN2KMT2AALDH1A1MAPTPOLB
SCHEMBL8832365 0.73 ALDH1A1 (0.53) KDM4EGLAATMSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025128873-A1 HETEROCYCLIC PYRIDINONE COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2025-06-19 WO disclosed
WO-2025128848-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2025-06-19 WO disclosed
WO-2025101598-A1 BI-CYCLIC PYRIMIDINE COMPOUNDS, METHODS AND USES THEREOF ZENO MANAGEMENT, INC. (US) 2025-05-15 WO disclosed
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 US disclosed
WO-2024233847-A2 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2024-11-14 WO disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
EP-1124823-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
EP-1082324-A1 IMIDAZOPYRIDINE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-2000064449-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-11-02 WO disclosed
US-6093717-A A SERINE PROTEASE INHIBITOR PREVENTING CORONARY ARTERY DISEASE AND INHIBITING THROMBUS FORMATION IN BLOOD MERCK & CO., INC. (US) 2000-07-25 US disclosed
EP-1017383-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-07-12 EP disclosed
US-6087373-A A SERINE PROTEASE INHIBITOR FOR PREVENTING OR TREATING UNSTABLE ANGINA, REFRACTORY ANGINA, MYOCARDIAL INFARCTION, TRANSIENT ISCHEMIC ATTACKS, ATRIAL FIBRILLATION, THROMBOTIC STROKE, EMBOLIC STROKE, DEEP VEIN THROMBOSIS MERCK & CO., INC. (US) 2000-07-11 US disclosed
WO-2000026210-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-1999061442-A1 IMIDAZOPYRIDINE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-12-02 WO disclosed
WO-1999015169-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-04-01 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 KDM4E 2420/4885GLA 922/4885ATM 2698/4885
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 KDM4E 158/4885GLA 3720/4885ATM 861/4885

“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.