SCHEMBL701945

SCHEMBL701945

CCN(N=O)C(=O)N(Cl)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
ADH1A P07327 2/20 0.37
ADH1C P00326 1/20 0.37
NPSR1 Q6W5P4 3/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL11113407 0.79 ADH1A (0.41) ADH1AADH1CNPSR1TSHRALDH1A1
SCHEMBL11115307 0.75 CES2 (0.38) ADH1AADH1CTSHRALDH1A1SMN1; SMN2
SCHEMBL504178 0.73 ADH1A (0.37) ADRA2APDE4AADRA1AADH1AADH1C
SCHEMBL56768 0.72 TSHR (0.36) TSHRALDH1A1MEN1KMT2A
SCHEMBL103333 0.72 ADRA2A (0.40) ADRA2APDE4AADRA1AALDH1A1
Ethyl Nitrosourea SCHEMBL27699579 0.71 ADRA2A (0.41) ADRA2APDE4AADRA1AADH1AADH1C
SCHEMBL7207383 0.71 ALDH1A1 (0.33) ADRA2APDE4AADRA1AADH1AADH1C
SCHEMBL846156 0.69 ADRA2A (0.53) ADRA2APDE4AADRA1ANPSR1TSHR
SCHEMBL7306685 0.68 KDM4E (0.38) ADH1AADH1CNPSR1TSHRALDH1A1
SCHEMBL11174425 0.67 MEN1 (0.40) ADH1AADH1CNPSR1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130046171-A1 DEVICE AND METHOD FOR ACCESSING AND TREATING DUCTS OF MAMMARY GLANDS ATOSSA THERAPEUTICS, INC. 2013-02-21 US claimed
US-8277807-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2012-10-02 US claimed
US-20110091452-A1 4,5-Dihydromacbecin Derivatives and Their Use in the Treatment of Cancer or B-Cell Malignancies BIOTICA TECHNOLOGY LIMITED (GB) 2011-04-21 US claimed
US-20100069781-A1 DEVICE AND METHOD FOR ACCESSING AND TREATING DUCTS OF MAMMARY GLANDS ATOSSA THERAPEUTICS, INC. 2010-03-18 US claimed
US-20100068203-A1 17-Oxymacbecin Derivatives and Their Use in the Treatment of Cancer and/or B-Cell Malignancies BIOTICA TECHNOLOGY LIMITED (GB) 2010-03-18 US claimed
US-20090298804-A1 Novel Compounds and Methods for Their Production BIOTICA TECHNOLOGY LIMITED (GB) 2009-12-03 US claimed
WO-2009129352-A2 DEVICE AND METHOD FOR ACCESSING AND TREATING DUCTS OF MAMMARY GLANDS WINDY HILL MEDICAL (US) 2009-10-22 WO claimed
US-20090253667-A1 18 ,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BIOTICA TECHNOLOGY LIMITED (GB) 2009-10-08 US claimed
US-20090209507-A1 15-O-Desmethylmacbecin Derivatives and Their Use in the Treatment of Cancer or B-Cell Malignancies BIOTICA TECHNOLOGY LIMITED (GB) 2009-08-20 US claimed
US-20090209494-A1 21-DEOXYMACBECIN ANALOGUES USEFUL AS ANTITUMOR AGENTS MARTIN CHRISTINE JANET 2009-08-20 US claimed
WO-2007128827-A1 17-OXYMACBECIN DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND/OR B-CELL MALIGNANCIES BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-15 WO claimed
WO-2007128829-A2 18,21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-15 WO claimed
WO-2007113270-A1 15-O-DESMETHYLMACBECIN DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER OR B-CELL MALIGNANCIES BIOTICA TECHNOLOGY LTD. (GB) 2007-10-11 WO claimed
WO-2007113268-A1 4, 5-DIHYDROMACBECIN DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER OR B-CELL MALIGNANCIES. BIOTICA TECHNOLOGY LTD. (GB) 2007-10-11 WO claimed
WO-2007113269-A2 15-DESMETHOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES BIOTICA TECHNOLOGY LTD. (GB) 2007-10-11 WO claimed
WO-2007113266-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LTD. (GB) 2007-10-11 WO claimed
WO-2007074347-A1 21-DEOXYMACBECIN ANALOGUES USEFUL AS ANTITUMOR AGENTS BIOTICA TECHNOLOGY LTD. (GB) 2007-07-05 WO claimed
US-6932777-B2 Prophylactic and therapeutic treatment of the ductal epithelium of a mammary gland for cancer JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2005-08-23 US claimed
US-6656918-B2 Contacting the ductal epithelium of the exocrine gland with epithelium destroying agents such as ethanol and vaccinia virus JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE 2003-12-02 US claimed
EP-0909184-B1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES UPJOHN CO (US) 2003-09-17 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110091452-A1 4,5-Dihydromacbecin Derivatives and Their Use in the Treatment of Cancer or B-Cell Malignancies BCL6, CD22, BCL6B ADRA2A 2429/4885PDE4A 2518/4885ADRA1A 2220/4885
US-20090209494-A1 21-DEOXYMACBECIN ANALOGUES USEFUL AS ANTITUMOR AGENTS BCL3, CDC42, BECN1 ADRA2A 3380/4885PDE4A 1362/4885ADRA1A 2595/4885
US-20100068203-A1 17-Oxymacbecin Derivatives and Their Use in the Treatment of Cancer and/or B-Cell Malignancies BCL3, BCL6, BCL6B ADRA2A 3214/4885PDE4A 2472/4885ADRA1A 2381/4885
US-20090209507-A1 15-O-Desmethylmacbecin Derivatives and Their Use in the Treatment of Cancer or B-Cell Malignancies C1QBP, CD22, BCL3 ADRA2A 3775/4885PDE4A 4417/4885ADRA1A 3444/4885
US-20090298804-A1 Novel Compounds and Methods for Their Production BCL3, BCL6, CD22 ADRA2A 4166/4885PDE4A 1210/4885ADRA1A 3983/4885
US-20090253667-A1 18 ,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BCL3, BECN1, CD22 ADRA2A 3328/4885PDE4A 1071/4885ADRA1A 2491/4885

“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.