SCHEMBL7606062

SCHEMBL7606062

O=CN(c1cccnc1)c1c(OCc2ccncc2)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.45
HDAC1 Q13547 4/20 0.45
LMNA P02545 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MCL1 Q07820 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC2 Q92769 2/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL7606176 0.96 HDAC6 (0.44) HDAC6HDAC1LMNAHDAC8PKM
SCHEMBL7613735 0.88 HDAC6 (0.44) HDAC6HDAC1HDAC8CYP3A4CYP2C19
SCHEMBL7608926 0.87 LMNA (0.43) HDAC6LMNAPKMTSHRMEN1
SCHEMBL7612615 0.87 MAPT (0.41) HDAC6HDAC1LMNAPKMALDH1A1
SCHEMBL7611332 0.87 HDAC6 (0.44) HDAC6HDAC1HDAC8TSHRMEN1
SCHEMBL7606049 0.86 PTGIR (0.38) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7608458 0.86 HDAC1 (0.40) HDAC6HDAC1HDAC8PKMTSHR
SCHEMBL7613468 0.85 HDAC6 (0.42) HDAC6HDAC1LMNAHDAC8MEN1
SCHEMBL7551884 0.84 HDAC6 (0.44) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL7555714 0.83 HDAC6 (0.45) HDAC6HDAC1LMNAHDAC8MEN1

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
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
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 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 45/4885LMNA 2374/4885

“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.