SCHEMBL5043960

SCHEMBL5043960

CN(C)c1ccc(CCNc2cc(C(O)C#Cc3ccc(C(=O)NO)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.39
HDAC6 Q9UBN7 12/20 0.39
HDAC8 Q9BY41 5/20 0.36
HDAC3 O15379 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC7 Q8WUI4 2/20 0.36
CTSB P07858 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
RXRA P19793 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CDK1 P06493 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL5047246 0.92 ESRRG (0.36) CTSBCTSLCTSSCDK1NAMPT
SCHEMBL5047294 0.92 RARB (0.40) RXRA
SCHEMBL5047219 0.92 HDAC6 (0.40) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL5047129 0.91 SIRT2 (0.32) CTSBCTSLCTSSCDK1
SCHEMBL5049736 0.91 HDAC8 (0.40) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL5044024 0.91 HDAC6 (0.40) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL5044029 0.90 CDK1 (0.34) RXRACDK1
SCHEMBL6411748 0.88 HDAC1 (0.37) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL6351939 0.86 RARB (0.46) RXRA
SCHEMBL6351938 0.85 RARA (0.38)

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-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US claimed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US claimed
US-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG HDAC1 675/4885HDAC6 2024/4885HDAC8 985/4885

“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.