SCHEMBL3280327

SCHEMBL3280327

CN(C)c1ccc(CC(=O)N2CCc3ccc(C(=O)O)cc3C2C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
POLB P06746 1/20 0.37
OPRD1 P41143 1/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
KMT2A Q03164 1/20 0.37
GHSR Q92847 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD3 P35462 1/20 0.36
PANK3 Q9H999 1/20 0.35

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
SCHEMBL3282219 0.86 ALDH1A1 (0.43) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL3284900 0.79 ACE (0.42) KDM4EALDH1A1GHSRDRD3
SCHEMBL3284599 0.78 KMT2A (0.51) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL3287690 0.68 F11 (0.43)
SCHEMBL3280325 0.67 HDAC6 (0.52) KMT2A
SCHEMBL3282233 0.66 MYC (0.58) ALDH1A1KMT2A
SCHEMBL4815332 0.65 HRH3 (0.47) KDM4EALDH1A1HRH3
SCHEMBL4807171 0.65 HRH3 (0.47) KDM4EALDH1A1HRH3
SCHEMBL29374171 0.64 PRMT5 (0.57) ALDH1A1KMT2A
SCHEMBL3281411 0.64 PARP1 (0.43) FNTAFNTB

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 RXRA 3015/4885RXRB 3080/4885RXRG 2914/4885

“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.