SCHEMBL2606701

SCHEMBL2606701

CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.58
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ABL1 P00519 7/20 0.55
PDGFRB P09619 6/20 0.55
KDR P35968 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
BCR P11274 4/20 0.54
PDGFRA P16234 4/20 0.54

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
SCHEMBL7944495 0.89 HDAC1 (0.58) HDAC1HDAC3HDAC2ALDH1A1KDM4E
SCHEMBL2137319 0.88 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL29611891 0.80 NPC1 (0.65) ALDH1A1KDM4ESMN1; SMN2TDP1KDR
SCHEMBL11192637 0.80 NPC1 (0.65) ALDH1A1KDM4ESMN1; SMN2TDP1KDR
SCHEMBL15397972 0.80 HDAC1 (0.69) HDAC1HDAC3HDAC2
SCHEMBL2606722 0.79 HDAC1 (0.59) HDAC1HDAC3HDAC2SMN1; SMN2HDAC4
SCHEMBL4803395 0.78 PDGFRA (0.87) ABL1PDGFRBKDRBCRPDGFRA
SCHEMBL7938657 0.77 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1927373 0.77 ABL1 (0.82) ABL1PDGFRBKDRBCRPDGFRA
SCHEMBL14082563 0.76 MKNK1 (0.59) ALDH1A1KDM4ESMN1; SMN2ABCB1MKNK1

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 2/4885HDAC3 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.