SCHEMBL2606722

SCHEMBL2606722

CC(=O)Nc1ccc(C(=O)Nc2cc(-c3ccccc3C)ccc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.59
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
HDAC3 O15379 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
FFAR1 O14842 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
MAPK14 Q16539 2/20 0.48

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
SCHEMBL2465214 0.89 HDAC1 (0.59) HDAC1CACNA1BAPBA1KMT2AMEN1
SCHEMBL2134768 0.89 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2134064 0.83 HDAC1 (0.49) HDAC1CACNA1BAPBA1KMT2AMEN1
SCHEMBL14701415 0.82 HPGD (0.70) HDAC1CACNA1BAPBA1KMT2AMEN1
SCHEMBL9312359 0.81 SMN1; SMN2 (0.62) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL2606704 0.80 HDAC1 (0.78) HDAC1KMT2AMEN1HDAC3HDAC2
SCHEMBL2606701 0.79 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL19462541 0.78 HDAC1 (0.73) HDAC1CACNA1BAPBA1KMT2AMEN1
SCHEMBL19462596 0.78 HDAC1 (0.73) HDAC1CACNA1BAPBA1KMT2AMEN1
SCHEMBL14285959 0.77 PTPN1 (0.69) CACNA1BAPBA1KMT2AHDAC2HDAC8

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 1 patent. 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

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 2/4885CACNA1B 1148/4885APBA1 960/4885

“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.