SCHEMBL7606189

SCHEMBL7606189

O=C(NCc1ccncc1)c1c(OCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.52
HDAC1 Q13547 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PTGER4 P35408 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR2 P34972 1/20 0.45
CCR1 P32246 1/20 0.45
ENPP2 Q13822 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL7609787 0.91 HDAC1 (0.53) HDAC6HDAC1L3MBTL1LMNAMAPT
SCHEMBL7606069 0.84 HDAC6 (0.53) HDAC6HDAC1
SCHEMBL7610043 0.83 CCR2 (0.55) HDAC6HDAC1LMNAMEN1KMT2A
SCHEMBL7606181 0.83 LRRK2 (0.55) HDAC6HDAC1MEN1KMT2A
SCHEMBL7652532 0.81 PPARG (0.47) HDAC6HDAC1L3MBTL1LMNAMAPT
SCHEMBL7606183 0.75 HDAC6 (0.43) HDAC6HDAC1LMNAMEN1KMT2A
SCHEMBL451443 0.74 SENP5 (0.44) HDAC6HDAC1LMNAMAPTPTGER4
SCHEMBL7612625 0.74 SGMS2 (0.50) HDAC6HDAC1LMNAMAPTMEN1
SCHEMBL7611336 0.73 LRRK2 (0.55) HDAC6HDAC1MEN1KMT2A
SCHEMBL7607089 0.73 LRRK2 (0.52) HDAC6HDAC1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US claimed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 US claimed
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 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-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment PDE3A, PDE3B, PDE4A HDAC6 59/4885HDAC1 45/4885L3MBTL1 4816/4885

“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.