SCHEMBL7573734

SCHEMBL7573734

COC(=O)c1cc(O)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.54
POLB P06746 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
XDH P47989 2/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
GFER P55789 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
FUT7 Q11130 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
VCAM1 P19320 1/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.48
COMT P21964 1/20 0.47
TTR P02766 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL31016374 1.00 TPMT (0.54) TPMTPOLBKDM4ELMNAXDH
SCHEMBL645817 0.90 VCAM1 (0.55) TPMTPOLBKDM4ELMNAGFER
SCHEMBL30159180 0.86 MAPT (0.52) TPMTPOLBKDM4ELMNAGFER
SCHEMBL22081923 0.86 MAPT (0.52) TPMTPOLBKDM4ELMNAGFER
SCHEMBL31161445 0.84 LMNA (0.53) TPMTPOLBKDM4ELMNAVCAM1
SCHEMBL10608607 0.84 LMNA (0.53) TPMTPOLBKDM4ELMNAVCAM1
SCHEMBL11598615 0.84 TPMT (0.57) TPMTPOLBKDM4ELMNAGAA
SCHEMBL31440703 0.84 KDM4E (0.65) TPMTPOLBKDM4ELMNAXDH
SCHEMBL643856 0.84 KDM4E (0.65) TPMTPOLBKDM4ELMNAXDH
SCHEMBL22470472 0.84 KMT2A (0.52) TPMTPOLBKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673439-A1 STING AGONISTS CONTAINING HYDRAZIDE, HYDRAZINE, AND HYDROXAMIC ACID FUNCTIONAL GROUPS BioNTech SE (DE) 2026-01-07 EP disclosed
EP-4673445-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2026-01-07 EP disclosed
EP-3919488-B1 IMMUNOMODULATOR HITGEN INC (CN) 2025-08-27 EP disclosed
CN-120020129-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-05-20 CN disclosed
CN-119431314-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-02-14 CN disclosed
EP-4463450-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS Bisichem Co., Ltd. (KR) 2024-11-20 EP disclosed
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
US-12129267-B2 Heteroaryl amide compounds as sting activators INCYTE CORPORATION (US) 2024-10-29 US disclosed
WO-2024182414-A1 STING AGONISTS CONTAINING HYDRAZIDE, HYDRAZINE, AND HYDROXAMIC ACID FUNCTIONAL GROUPS BIONTECH US INC. (US) 2024-09-06 WO disclosed
WO-2024180103-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2024-09-06 WO disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 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 (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-12129267-B2 Heteroaryl amide compounds as sting activators STING1, MAVS, IRF3 TPMT 3108/4885POLB 652/4885KDM4E 3438/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 TPMT 528/4885POLB 498/4885KDM4E 125/4885

“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.