SCHEMBL3282339

SCHEMBL3282339

O=C(NO)c1ccc2c(c1)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.54
HDAC8 Q9BY41 3/20 0.50
ROCK2 O75116 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
LSS P48449 1/20 0.47
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 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
SCHEMBL3281886 0.89 ADH5 (0.53) HDAC6ROCK2LSSKMT2AMEN1
SCHEMBL1263318 0.81 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL1026165 0.78 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL3287685 0.78 HDAC6 (0.58) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL29115344 0.77 PDE3B (0.47) ROCK2HTTCYP3A4BAZ2BHTR2A
SCHEMBL3282215 0.75 PRMT5 (0.63) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL3281249 0.74 MYC (0.55) HDAC6KMT2ANPC1MEN1CYP3A4
SCHEMBL26318825 0.73 ESR1 (0.58) ROCK2HTTCYP3A4BAZ2BHTR2A
SCHEMBL1080738 0.73 HDAC6 (0.67) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL9363641 0.73 HPGD (0.68) LSSKMT2AMEN1HTTCYP3A4

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 5 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

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 2/4885HDAC8 10/4885ROCK2 1233/4885

“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.