SCHEMBL3553379

SCHEMBL3553379

NC(=O)c1cc(N)ccc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
THRB P10828 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ALOX15 P16050 2/20 0.49
GFER P55789 2/20 0.49
YWHAG P61981 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
RECQL P46063 2/20 0.45
CYP3A4 P08684 2/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 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
SCHEMBL28596944 0.83 KDM4E (0.61) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL19971999 0.81 MAPT (0.44) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL31373249 0.80 MAP2K2 (0.41) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL1803658 0.79 MAPT (0.53) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL1708814 0.77 KMT2A (0.65) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL4174657 0.77 PARP1 (0.44) MAPTKDM4EMEN1KMT2AGFER
SCHEMBL3166835 0.77 DGAT1 (0.55) MAPTKDM4EMEN1KMT2AALOX15
SCHEMBL1804347 0.77 KEAP1 (0.47) MEN1KMT2AALDH1A1TDP1PARP1
SCHEMBL31017519 0.76 GAA (0.61) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL17375016 0.76 GAA (0.61) MAPTKDM4EMEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102718665-B Insecticide for agricultural or horticultural use prepare intermediate MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) 2015-09-16 CN disclosed
CN-104892431-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2015-09-09 CN disclosed
CN-102976984-B Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2015-04-08 CN disclosed
US-7776922-B2 Substituted [(phenylethanoyl)amino]benzamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-7776922-B2 Substituted [(phenylethanoyl)amino]benzamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-7776922-B2 Substituted [(phenylethanoyl)amino]benzamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-17 US disclosed
US-20080171786-A1 e.g. 2-(1-Benzothien-2-yl)-5-[(2-phenylbutanoyl)amino]benzamide; interleukin-8 receptor antagonist; antiinflammatory agent, cardiovascular diseases; arteriosclerosis, coronary heart disease, dyslipidemias, myocardial infarction, stroke, restenosis, reperfusion injury, thrombosis, ischemia BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 US disclosed
US-20080171786-A1 e.g. 2-(1-Benzothien-2-yl)-5-[(2-phenylbutanoyl)amino]benzamide; interleukin-8 receptor antagonist; antiinflammatory agent, cardiovascular diseases; arteriosclerosis, coronary heart disease, dyslipidemias, myocardial infarction, stroke, restenosis, reperfusion injury, thrombosis, ischemia BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 US disclosed
US-20080171786-A1 e.g. 2-(1-Benzothien-2-yl)-5-[(2-phenylbutanoyl)amino]benzamide; interleukin-8 receptor antagonist; antiinflammatory agent, cardiovascular diseases; arteriosclerosis, coronary heart disease, dyslipidemias, myocardial infarction, stroke, restenosis, reperfusion injury, thrombosis, ischemia BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 US disclosed
EP-1814872-A1 SUBSTITUTED [(PHENYLETHANOYL)AMINO] BENZAMIDES AND THE USE THEREOF IN THE TREATMENT OF INFLAMMATORY AND CARDIO-VASCULAR DISEASES Bayer HealthCare AG (DE) 2007-08-08 EP disclosed
WO-2006053748-A1 SUBSTITUTED [(PHENYLETHANOYL)AMINO] BENZAMIDES AND THE USE THEREOF IN THE TREATMENT OF INFLAMMATORY AND CARDIO-VASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-05-26 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-20080171786-A1 e.g. 2-(1-Benzothien-2-yl)-5-[(2-phenylbutanoyl)amino]benzamide; interleukin-8 receptor antagonist; antiinflammatory agent, cardiovascular diseases; arteriosclerosis, coronary heart disease, dyslipidemias, myocardial infarction, stroke, restenosis, reperfusion injury, thrombosis, ischemia CXCL8, CASP8, TLR8 MAPT 4296/4885KDM4E 2435/4885MEN1 4596/4885

“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.