SCHEMBL3422244

SCHEMBL3422244

NC(=O)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.51
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
SLC9A1 P19634 1/20 0.49
LMNA P02545 1/20 0.49
VCAM1 P19320 3/20 0.47
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
GPR35 Q9HC97 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL6573505 0.93 KMT2A (0.53) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL4511665 0.91 KMT2A (0.54) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL8597606 0.91 KMT2A (0.54) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL27686809 0.89 KMT2A (0.57) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL6811571 0.86 KMT2A (0.50) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL6814702 0.86 ALDH1A1 (0.62) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL16117987 0.84 CYP3A4 (0.49) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL2977714 0.83 DTYMK (0.50) CYP3A4MAPTKMT2AALDH1A1SLC9A1
SCHEMBL6570778 0.83 VCAM1 (0.49) CYP3A4MAPTBLMPMP22KMT2A
SCHEMBL29596737 0.83 DTYMK (0.50) CYP3A4MAPTKMT2AALDH1A1SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-13 US disclosed
US-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-13 US disclosed
US-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-13 US disclosed
WO-2009127815-A1 AMINOALYL-IMIDAZOTETRAZINES FOR TREATMENT OF CANCER THE UNIVERSITY OF BRADFORD (GB) 2009-10-22 WO disclosed
EP-2059499-A1 PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM Auckland Uniservices Limited (NZ) 2009-05-20 EP disclosed
WO-2008030112-A1 PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO disclosed
WO-2008030112-A1 PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO disclosed
EP-0638123-B1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER REC TECH LTD (GB) 2006-12-27 EP disclosed
EP-0725826-B1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RES CAMPAIGN TECH (GB) 2005-01-26 EP disclosed
CN-1137100-C Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family ��ʲ 2004-02-04 CN disclosed
US-5633158-A CULTURE PRODUCT; GENETIC ENGINEERING CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-05-27 US disclosed
CN-1139430-A Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family WARNER LAMBERT CO (US) 1997-01-01 CN disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
EP-0725826-A1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-08-14 EP disclosed
WO-1996014420-A1 INDUCIBLE CELL ABLATION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-17 WO disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed
WO-1995012678-A2 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-05-11 WO disclosed
EP-0638123-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-02-15 EP disclosed
EP-0540263-A1 Bacterial nitroreductase for the reduction of CB 1954 and analogues thereof to a cytotoxic form CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-05-05 EP disclosed
WO-1993008288-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-04-29 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 (1 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-20100121091-A1 Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom HRH2, HRH4, H1-2 CYP3A4 782/4885MAPT 4882/4885BLM 3953/4885

“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.