SCHEMBL7609787

SCHEMBL7609787

O=C(NCc1cccnc1)c1c(OCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HTT P42858 5/20 0.52
LMNA P02545 4/20 0.52
GFER P55789 1/20 0.52
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX12 P18054 1/20 0.48
NAMPT P43490 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.44
POLB P06746 1/20 0.44
DGAT2 Q96PD7 1/20 0.44

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
SCHEMBL7606189 0.91 HDAC6 (0.52) HDAC1HDAC6LMNAMAPTL3MBTL1
SCHEMBL7606181 0.88 LRRK2 (0.55) HDAC1HDAC6NAMPTMEN1KMT2A
SCHEMBL7606069 0.84 HDAC6 (0.53) HDAC1HDAC6POLB
SCHEMBL7610043 0.81 CCR2 (0.55) HDAC1HDAC6LMNAKDM4EALDH1A1
SCHEMBL7652532 0.79 PPARG (0.47) HDAC1HDAC6LMNASMN1; SMN2MAPT
SCHEMBL7611336 0.79 LRRK2 (0.55) HDAC1HDAC6NAMPTMEN1KMT2A
SCHEMBL7612625 0.79 SGMS2 (0.50) HDAC1HDAC6LMNAALDH1A1SMN1; SMN2
SCHEMBL7608461 0.79 LRRK2 (0.59) HDAC1HDAC6POLB
SCHEMBL7607089 0.79 LRRK2 (0.52) HDAC1HDAC6NAMPTPOLB
SCHEMBL7613476 0.78 HDAC1 (0.49) HDAC1HDAC6HTTLMNAKDM4E

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 HDAC1 45/4885HDAC6 59/4885HTT 3626/4885

“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.