SCHEMBL1978135

SCHEMBL1978135

Nc1ccc(-c2nc3ccccc3s2)cc1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.69
MMP9 P14780 2/20 0.62
MMP8 P22894 2/20 0.62
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
KDM4E B2RXH2 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 3/20 0.54
GLA P06280 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL7836371 0.86 APP (0.75) APPMMP9MMP8RAB9ANPC1
SCHEMBL1326042 0.85 APP (0.69) APPMMP9MMP8RAB9ANPC1
SCHEMBL29406270 0.85 APP (0.69) APPMMP9MMP8RAB9ANPC1
SCHEMBL8397690 0.84 APP (0.73) APPMMP9MMP8RAB9ANPC1
SCHEMBL18875264 0.84 APP (0.57) APPMMP9MMP8RAB9ANPC1
SCHEMBL7104870 0.84 APP (0.61) APPMMP9MMP8RAB9ANPC1
SCHEMBL1726512 0.82 APP (1.00) APPMMP9MMP8RAB9ANPC1
SCHEMBL6284593 0.82 APP (0.69) APPMMP9MMP8RAB9ANPC1
SCHEMBL12471564 0.82 KDM4E (0.64) APPMMP9MMP8RAB9ANPC1
SCHEMBL12227064 0.82 APP (0.69) APPMMP9MMP8RAB9ANPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008136018-A2 4BETA-AMIN0 PODOPHYLLOTOXIN CONGENERS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-11-13 WO claimed
US-20080275248-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-11-06 US claimed
EP-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 EP claimed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 EP claimed
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 US claimed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 WO claimed
EP-3296294-B1 COMPOUND FOR TREATING OR PREVENTING BREAST CANCER JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2020-02-12 EP disclosed
EP-3296294-A1 COMPOUND FOR TREATING OR PREVENTING BREAST CANCER Jiangsu Atom Bioscience And Pharmaceutical Co., Ltd (CN) 2018-03-21 EP disclosed
US-7960418-B2 Cytotoxic 4 beta -[4''-(1'',3''-benzothiazole-2''-yl)anilino]-4-desoxypodophyllotoxin anticarcinogenic agent; prepared by amination with a 4-(1,3-benzothiazole-2-yl)aniline compound; new chemical derivatives from PODOPHYLLOTOXIN, as antitumor antibiotics COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-06-14 US disclosed
WO-2008136018-A2 4BETA-AMIN0 PODOPHYLLOTOXIN CONGENERS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-11-13 WO disclosed
US-20080275248-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-11-06 US disclosed
EP-0812319-B9 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2003-10-08 EP disclosed
EP-0812319-B1 2-ARYLBENZAZOLE COMPOUNDS CANCER RES VENTURES LTD (GB) 2002-07-10 EP disclosed
US-6034246-A ANTICANCER AGENT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-07 US disclosed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 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-20080275248-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS POTENTIAL ANTICANCER AGENTS AND A PROCESS FOR THE PREPARATION THEREOF IPO4, TUBB4B, TUBB4A APP 4824/4885MMP9 2874/4885MMP8 3732/4885

“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.