SCHEMBL964903

SCHEMBL964903

CCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1cc(Cl)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC6 Q9UBN7 6/20 0.35
HDAC4 P56524 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
CNR2 P34972 4/20 0.34
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL964902 1.00 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL964275 0.88 ELANE (0.32) CNR2POLBCASP6SMN1; SMN2ALDH1A1
SCHEMBL964274 0.88 ELANE (0.32) CNR2POLBCASP6SMN1; SMN2ALDH1A1
SCHEMBL963196 0.87 PTAFR (0.36) PPARG
SCHEMBL963198 0.87 PTAFR (0.36) PPARG
SCHEMBL963900 0.87 PPARG (0.43) CNR2PPARGCNR1
SCHEMBL963901 0.87 PPARG (0.43) CNR2PPARGCNR1
SCHEMBL27793925 0.86 PPARG (0.32) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL963892 0.86 POLB (0.35) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL963893 0.86 POLB (0.35) HDAC3HDAC1HDAC2HDAC6HDAC4

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 HDAC3 131/4885HDAC1 108/4885HDAC2 333/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HDAC3 103/4885HDAC1 338/4885HDAC2 845/4885

“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.