SCHEMBL1985128

SCHEMBL1985128

Nc1ncc(C(=O)NCC2CCCCC2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.67
HDAC4 P56524 3/20 0.67
HDAC3 O15379 2/20 0.67
HDAC1 Q13547 1/20 0.53
CNR1 P21554 2/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 1/20 0.46
PLK4 O00444 1/20 0.46
PDPK1 O15530 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL1984376 0.99 HDAC6 (0.64) HDAC6HDAC4HDAC3HDAC1CNR1
SCHEMBL1984985 0.93 HDAC3 (0.56) HDAC6HDAC4HDAC3HDAC1CNR1
SCHEMBL2201363 0.80 HDAC6 (1.00) HDAC6HDAC4HDAC3HDAC1CNR1
SCHEMBL11776529 0.78 HDAC6 (0.61) HDAC6HDAC4HDAC3HDAC1CNR1
SCHEMBL11538808 0.75 HDAC6 (0.54) HDAC6HDAC4HDAC3HDAC1CNR1
SCHEMBL1985456 0.75 JAK2 (0.46) HDAC6HDAC4HDAC3KDM4EALDH1A1
SCHEMBL6907136 0.74 MAPK11 (0.49) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4219879 0.74 HDAC1 (0.50) HDAC6HDAC4HDAC3HDAC1KDM4E
SCHEMBL12800947 0.73 HDAC4 (0.45) HDAC6HDAC4HDAC1ALDH1A1HPGD
SCHEMBL1983871 0.73 SMYD3 (0.46) HDAC6HDAC4HDAC3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222655-B1 N-CYCL0ALKYLMETHYL-2-AMIN0THIAZ0LE-5-CARB0XAMIDES FOR USE IN PLANT DISEASE CONTROL SUMITOMO CHEMICAL CO (JP) 2011-06-29 EP disclosed
US-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 US disclosed
US-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 US disclosed
US-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 US disclosed
EP-2222655-A1 N-CYCL0ALKYLMETHYL-2-AMIN0THIAZ0LE-5-CARB0XAMIDES FOR USE IN PLANT DISEASE CONTROL Sumitomo Chemical Company, Limited (JP) 2010-09-01 EP disclosed
WO-2009066790-A1 N-CYCL0ALKYLMETHYL-2-AMIN0THIAZ0LE-5-CARB0XAMIDES FOR USE IN PLANT DISEASE CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 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-20100298391-A1 AMIDE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL CYC1, NAT1, CYCS HDAC6 852/4885HDAC4 1051/4885HDAC3 340/4885

“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.