SCHEMBL1011663

SCHEMBL1011663

NC(=O)c1cnc(N2CC3C(C2)C3NC(=O)c2ccc3sccc3c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.57
HDAC4 P56524 13/20 0.57
HDAC1 Q13547 13/20 0.57
HDAC7 Q8WUI4 13/20 0.57
HDAC2 Q92769 13/20 0.57
HDAC10 Q969S8 13/20 0.57
HDAC11 Q96DB2 13/20 0.57
HDAC8 Q9BY41 13/20 0.57
HDAC6 Q9UBN7 13/20 0.57
HDAC9 Q9UKV0 13/20 0.57
HDAC5 Q9UQL6 13/20 0.57
CHRNA7 P36544 2/20 0.45
HTR3A P46098 2/20 0.45
NAMPT P43490 1/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL8251582 0.90 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012239 0.83 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012530 0.80 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012604 0.78 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1009662 0.78 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8248005 0.72 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1761402 0.72 CHRNA7 (0.54) CHRNA7HTR3ANAMPTHTR3EHTR3B
Hydrochloric Acid SCHEMBL1761512 0.71 CHRNA7 (0.53) CHRNA7HTR3ANAMPTHTR3EHTR3B
SCHEMBL29503181 0.70 CTNNB1 (0.57) CHRNA7HTR3ANAMPTDYRK1A
SCHEMBL3352794 0.70 CTNNB1 (0.57) CHRNA7HTR3ANAMPTDYRK1A

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 HDAC3 6/4885HDAC4 7/4885HDAC1 1/4885

“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.