SCHEMBL3287685

SCHEMBL3287685

N=C(N)Nc1ccc(C(=O)N2CCc3ccc(C(=O)NO)cc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.58
NAMPT P43490 1/20 0.55
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
TMPRSS2 O15393 6/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM1A O60341 2/20 0.46

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
SCHEMBL1026165 0.82 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL3282215 0.79 PRMT5 (0.63) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL3282339 0.78 HDAC6 (0.54) HDAC6HDAC8HDAC3HDAC1NPC1
SCHEMBL1080738 0.77 HDAC6 (0.67) HDAC6HDAC8HDAC3HDAC1TMPRSS2
SCHEMBL7307122 0.76 ITGB3 (0.70) TMPRSS2RAB9AKMT2A
SCHEMBL3282046 0.76 NAMPT (0.57) HDAC6NAMPTNPC1RAB9AKMT2A
SCHEMBL1076363 0.76 HDAC6 (0.67) HDAC6HDAC8HDAC3HDAC1KDM1A
SCHEMBL24891975 0.76 TMPRSS2 (0.80) TMPRSS2NPC1RAB9A
SCHEMBL1263318 0.75 HDAC6 (0.64) HDAC6NAMPTHDAC8HDAC3HDAC1
SCHEMBL12895832 0.75 HDAC6 (0.73) HDAC6HDAC8HDAC3HDAC1TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US claimed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 US claimed
WO-2005108367-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES ENVIVO PHARMACEUTICALS, INC. (US) 2005-11-17 WO claimed
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 US disclosed
WO-2005108367-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES ENVIVO PHARMACEUTICALS, INC. (US) 2005-11-17 WO 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 HDAC6 2/4885NAMPT 112/4885HDAC8 10/4885

“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.