SCHEMBL4093561

SCHEMBL4093561

CCCCc1ccccc1NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
LIPG Q9Y5X9 1/20 0.44
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR8 Q9NR97 1/20 0.39
AR P10275 1/20 0.38
TYR P14679 1/20 0.37

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
Hydrochloric Acid SCHEMBL8801544 0.98 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9LIPGPOLB
SCHEMBL10407894 0.94 LIPG (0.52) CYP3A4CYP2D6CYP2C9LIPGPOLB
SCHEMBL4083405 0.92 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL11349035 0.92 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL4089467 0.92 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL4093510 0.92 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL4079740 0.92 LIPG (0.55) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL22535153 0.89 L3MBTL1 (0.43) LIPGPOLBKDM4EUSP2ALDH1A1
SCHEMBL1135151 0.87 ADRA2B (0.45) POLBKDM4EUSP2ALDH1A1MAPT
SCHEMBL14785273 0.85 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9LIPGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115927097-A Bacillus belgii FC02, microbial inoculum and preparation method and application thereof 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2023-04-07 CN disclosed
CN-103975003-B Carbon fiber forming blank, moulding material and carbon fibre reinforced composite 东丽株式会社 2017-07-28 CN disclosed
CN-103732632-B Method for producing olefin block polymer using Group 4 transition metal complex 住友化学株式会社 2017-07-07 CN disclosed
US-9499479-B2 Molecules that selectively inhibit histone deacetylase 6 relative to histone deacetylase 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-11-22 US disclosed
CN-105612247-A Water-soluble cutting oil stock solution composition, cutting oil composition, and cutting method JX NIPPON OIL & ENERGY CORP 2016-05-25 CN disclosed
CN-103958548-B Use the manufacture method of the olefin block polymers of multiple transition-metal catalyst SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-05-18 CN disclosed
CN-103890056-B Carbon fiber-reinforced thermoplastic resin composition, molding material, prepreg, and methods for producing same TORAY INDUSTRIES 2015-07-22 CN disclosed
US-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 US disclosed
CN-103975003-A Carbon fiber molding material, molding material, and carbon fiber-strengthening composite material TORAY INDUSTRIES 2014-08-06 CN disclosed
CN-103958548-A Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed
CN-1537871-A Polyaddition catalyst component polyaddition catalyst and pruess for producing addition polymer ס�ѻ�ѧ��ҵ��ʽ���� 2004-10-20 CN disclosed
CN-1537872-A Polyaddition catalyst component, polyaddition catalyst, and method for preparing addition polymer ס�ѻ�ѧ��ҵ��ʽ���� 2004-10-20 CN disclosed
CN-1537874-A Polyaddition catalyst component, polyaddition catalyst and method for preparing addition polymer ס�ѻ�ѧ��ҵ��ʽ���� 2004-10-20 CN disclosed
CN-1532209-A Contact product, catalytic component and addition polymerizing cathlyst and method for producing addition polymer 住友化学工业株式会社 2004-09-29 CN disclosed
CN-1530378-A Catalyst component for polyaddition, catalyst and method for producing addition polymer ס�ѻ�ѧ��ҵ��ʽ���� 2004-09-22 CN disclosed
CN-1422286-A Modified particle, support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2003-06-04 CN disclosed
CN-1408738-A Catalytic component for addition polymerization, process for producing addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2003-04-09 CN disclosed
CN-1306011-A Polyaddition catalyst component, polyaddition catalyst and method for preparing addition polymer SUMITOMO CHEMICAL CO (JP) 2001-08-01 CN disclosed
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP 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-20140288119-A1 NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1 HDAC7, HDAC3, HDAC1 CYP3A4 2710/4885CYP2D6 2285/4885CYP2C9 2737/4885

“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.