SCHEMBL1012083

SCHEMBL1012083

NC(=O)c1cnc(N2CC3C(C2)C3N2CCOCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ADRA1A P35348 2/20 0.42
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC3 O15379 5/20 0.38
HDAC4 P56524 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC7 Q8WUI4 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC10 Q969S8 5/20 0.38
HDAC11 Q96DB2 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC9 Q9UKV0 5/20 0.38
HDAC5 Q9UQL6 5/20 0.38
AOC3 Q16853 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CG P48736 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL1010727 0.88 POLB (0.67) POLBADRA1AHDAC6HDAC3HDAC4
SCHEMBL1011366 0.86 HDAC6 (0.41) POLBADRA1AHDAC6HDAC3HDAC4
SCHEMBL8242146 0.85 HDAC6 (0.55) POLBHDAC6HDAC3HDAC4HDAC1
SCHEMBL3126575 0.81 POLB (0.73) POLBADRA1AKDM4EHTTHDAC6
SCHEMBL1011771 0.81 PIK3CA (0.48) POLBADRA1AKDM4EHTTALDH1A1
SCHEMBL1012360 0.78 HDAC3 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1012595 0.77 HDAC3 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1014478 0.76 ADRA1A (0.44) ADRA1AHDAC6HDAC3HDAC4HDAC1
SCHEMBL1011606 0.75 HDAC6 (0.38) POLBADRA1AHDAC6HDAC3HDAC4
SCHEMBL4788566 0.72 HDAC6 (0.36) POLBADRA1AHDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 POLB 138/4885ADRA1A 4361/4885KDM4E 281/4885

“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.