SCHEMBL11279567

SCHEMBL11279567

CC(=O)Nc1cc(-c2ccncc2)ccc1N

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.74
HDAC1 Q13547 12/20 0.74
HDAC3 O15379 6/20 0.74
AAK1 Q2M2I8 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C18 P33260 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL8110762 0.88 HDAC2 (0.83) HDAC2HDAC1HDAC3
SCHEMBL29741582 0.86 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL4655939 0.84 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL14155797 0.84 HDAC2 (0.77) HDAC2HDAC1HDAC3
SCHEMBL4579995 0.79 HDAC1 (0.75) HDAC2HDAC1HDAC3KCNH2
SCHEMBL16371520 0.78 NPC1 (0.51) HDAC2HDAC1HDAC3AAK1
SCHEMBL6995006 0.78 NPC1 (0.51) HDAC2HDAC1HDAC3
SCHEMBL13833373 0.77 HDAC2 (0.77) HDAC2HDAC1HDAC3AAK1
SCHEMBL13735514 0.77 HDAC2 (0.74) HDAC2HDAC1HDAC3
SCHEMBL4579545 0.77 HDAC1 (0.73) HDAC2HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP 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-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 HDAC2 1/4885HDAC1 2/4885HDAC3 10/4885

“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.