SCHEMBL7104019

SCHEMBL7104019

O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
PLA2G10 O15496 1/20 0.52
PHGDH O43175 1/20 0.52
F2 P00734 1/20 0.52
CA2 P00918 1/20 0.52
PLA2G1B P04054 1/20 0.52

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
SCHEMBL7103485 0.92 MAPT (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7099041 0.91 MAPT (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6841073 0.89 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14336770 0.80 MAPT (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6154935 0.79 GAA (0.67) TDP1RAB9ANPC1PLA2G10PHGDH
SCHEMBL14336796 0.78 MAPT (0.52) POLBTDP1RAB9ANPC1PLA2G10
SCHEMBL7516731 0.76 MAPT (0.47) HDAC8POLBRAB9ANPC1GAA
SCHEMBL14347199 0.76 MAPT (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7311087 0.75 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7101981 0.75 HDAC1 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US claimed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH HDAC3 1674/4885HDAC4 1796/4885HDAC1 799/4885

“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.