SCHEMBL3608307

SCHEMBL3608307

CCOC(=O)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
RAB9A P51151 3/20 0.59
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
BCL2L1 Q07817 1/20 0.51
OPRM1 P35372 4/20 0.49
CLK1 P49759 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRL1 P41146 1/20 0.49
NAMPT P43490 1/20 0.49

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
SCHEMBL16264559 0.85 CYP2C9 (0.56) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3612650 0.82 HDAC1 (0.56) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4405770 0.82 BCL2L1 (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL29913871 0.82 BCL2L1 (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1869059 0.80 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5160945 0.80 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7636919 0.79 BCL2L1 (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL8329057 0.79 RAB9A (0.74) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL31130328 0.78 RAB9A (0.50) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3605587 0.77 HDAC1 (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP HDAC3 3674/4885HDAC1 2786/4885HDAC2 3501/4885

“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.