SCHEMBL2136572

SCHEMBL2136572

CN1CCN(CCNC(=O)c2ccc(C(=O)Nc3cc(-c4cccnc4)ccc3N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.57
HDAC3 O15379 6/20 0.57
HDAC2 Q92769 6/20 0.57
WNT1 P04628 3/20 0.54
DYRK1A Q13627 3/20 0.54
KCNH2 Q12809 1/20 0.51

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
SCHEMBL2132109 0.84 CD274 (0.51) HDAC2WNT1DYRK1A
SCHEMBL2138738 0.81 HDAC1 (0.70) HDAC1HDAC3HDAC2
SCHEMBL4581935 0.81 HDAC1 (0.79) HDAC1HDAC3HDAC2KCNH2
SCHEMBL2134032 0.80 HDAC1 (0.67) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578711 0.79 HDAC1 (0.84) HDAC1HDAC3HDAC2KCNH2
SCHEMBL14082498 0.78 WNT1 (0.64) WNT1DYRK1A
SCHEMBL4580198 0.78 HDAC1 (0.82) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4579434 0.78 HDAC1 (0.70) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578145 0.77 HDAC1 (0.64) HDAC1HDAC3HDAC2KCNH2
SCHEMBL18670965 0.77 HDAC1 (0.65) HDAC1HDAC3HDAC2KCNH2

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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 HDAC1 2/4885HDAC3 3/4885HDAC2 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.