SCHEMBL1014478

SCHEMBL1014478

NC(=O)c1cnc(N2CC3C(C2)C3N2CCc3ccccc3C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RIPK1 Q13546 2/20 0.41
SLC18A3 Q16572 1/20 0.40
SCN9A Q15858 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL1012360 0.92 HDAC3 (0.44) MEN1KMT2AHDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1012595 0.91 HDAC3 (0.44) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL8248792 0.87 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1012380 0.79 HDAC6 (0.40) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL1011366 0.78 HDAC6 (0.41) ADRA1AHDAC6HDAC3HDAC4HDAC1
SCHEMBL1011385 0.78 HDAC3 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1012083 0.76 POLB (0.50) ADRA1AHDAC6HDAC3HDAC4HDAC1
SCHEMBL16855259 0.71 ADRA1A (0.80) ADRA1AKMT2A
SCHEMBL20220382 0.71 ADRA1A (0.80) ADRA1AKMT2A
SCHEMBL1012604 0.70 HDAC3 (0.77) HDAC6HDAC3HDAC4HDAC1HDAC7

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 ADRA1A 4361/4885MEN1 1667/4885KMT2A 55/4885

“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.