SCHEMBL920148

SCHEMBL920148

CCCCCC[N]c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL921169 0.98 HDAC1 (0.36) HDAC1HDAC11HDAC8HDAC6CYP1A2
SCHEMBL921553 0.92 LMNA (0.36) HDAC1HDAC11HDAC8HDAC6CYP1A2
SCHEMBL919740 0.84
SCHEMBL6377842 0.71 LMNA (0.39) HDAC1HDAC11HDAC8HDAC6MAPT
Heptane SCHEMBL8571539 0.71 KDM4E (0.50) HDAC1HDAC11HDAC8HDAC6CYP1A2
SCHEMBL96871 0.68 MEN1 (0.40) CYP1A2CYP2D6CYP2C19TP53MEN1
SCHEMBL6542019 0.68 MEN1 (0.40) CYP1A2CYP2D6CYP2C19TP53MEN1
SCHEMBL6716782 0.68 MEN1 (0.40) CYP1A2CYP2D6CYP2C19TP53MEN1
SCHEMBL1669437 0.68 MEN1 (0.40) CYP1A2CYP2D6CYP2C19TP53MEN1
SCHEMBL6717183 0.68 MEN1 (0.40) CYP1A2CYP2D6CYP2C19TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
EP-1049691-B1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMA CO LTD (JP) 2004-02-18 EP disclosed
US-6413979-B1 ANTAGONISTS TO ENDOTHELINS; VASODILATORS AND BRONCHODILATORS; SYNTHESIS ROUTES; HYPERTENSION, ASTHMA, RAYNAUD'S DISEASE, RENAL AND HEART FAILURE, ANGINA, DIABETES, CEREBRAL INFARC-TION AND VASOSPASM, ARTERIOSCLEROSIS, RESTENOSIS, PROSTATISM BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1049691-A1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999037639-A1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 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 (3 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX HDAC1 277/4885HDAC11 282/4885HDAC8 642/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 HDAC1 166/4885HDAC11 116/4885HDAC8 711/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HDAC1 556/4885HDAC11 186/4885HDAC8 1592/4885

“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.