SCHEMBL645817

SCHEMBL645817

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.55
MAPT P10636 4/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 3/20 0.51
TPMT P51580 1/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAF1 P04049 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL11598615 0.94 TPMT (0.57) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL30159180 0.92 MAPT (0.52) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL22081923 0.92 MAPT (0.52) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL31016374 0.90 TPMT (0.54) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL31161445 0.90 LMNA (0.53) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL10608607 0.90 LMNA (0.53) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL7573734 0.90 TPMT (0.54) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL1458078 0.89 VCAM1 (0.49) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL21681844 0.89 VCAM1 (0.49) VCAM1MAPTKDM4EPOLBMAPK1
SCHEMBL15408520 0.89 VCAM1 (0.49) VCAM1MAPTKDM4EPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS Jubilant Epipad LLC 2025-10-02 US disclosed
US-12357639-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2025-07-15 US disclosed
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2024-05-16 US disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
CN-116041228-B Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2024-03-12 CN disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
CN-116041228-A Synthesis method of bumetanide 沈阳希贝康医药科技有限公司 2023-05-02 CN disclosed
CN-111108105-B Heterocyclic compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2023-03-31 CN disclosed
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed
WO-1996029067-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1996-09-26 WO disclosed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 EP disclosed
EP-0677292-A1 Anti-viral and anti-cancer agents RADOPATH LIMITED (GB) 1995-10-18 EP disclosed
WO-1995024897-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1995-09-21 WO disclosed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 WO disclosed
US-4806151-A ESTERIFICATION, THEN AMINATION OF 4-CHLORO-3,5-DINITRO-BENZOIC ACID; ACID CATALYST, SALT FORMATION OF EXCESS; FUNGICIDES, HERBICIDES BUDAPESTI VEGYIMUVEK (HU) 1989-02-21 US disclosed
US-4186127-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1980-01-29 US disclosed
US-4159278-A PROPHYAXIS, ANTIALLERGENS, SENSITIZATION THE UPJOHN COMPANY (US) 1979-06-26 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 US 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-11833156-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 VCAM1 686/4885MAPT 3841/4885KDM4E 1347/4885
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS NES, VHL, ETV6 VCAM1 1423/4885MAPT 2514/4885KDM4E 2928/4885
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 VCAM1 793/4885MAPT 4416/4885KDM4E 341/4885
US-12357639-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 VCAM1 793/4885MAPT 4416/4885KDM4E 341/4885

“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.