SCHEMBL3856028

SCHEMBL3856028

COC(=O)c1ccc(CN2CCc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC3 O15379 2/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
TNF P01375 1/20 0.60
SIRT1 Q96EB6 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
DRD4 P21917 1/20 0.48
CHKA P35790 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL26159147 0.92 HDAC1 (0.72) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL19260249 0.92 HDAC1 (0.72) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL30027318 0.85 ACHE (0.57) HDAC6HDAC1TNFMEN1KMT2A
SCHEMBL700477 0.85 ACHE (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL23754421 0.85 ACHE (0.57) HDAC6HDAC1TNFMEN1KMT2A
SCHEMBL20879365 0.83 HDAC1 (0.85) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL15524900 0.83 HDAC1 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL15528419 0.83 HDAC1 (0.65) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26159155 0.82 HDAC1 (0.68) HDAC6HDAC1TNFMEN1KMT2A
SCHEMBL29126108 0.81 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC8

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-10934255-B2 Nrf and HIF activators/HDAC inhibitors and therapeutic methods using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-02 US disclosed
US-20200039933-A1 NRF AND HIF ACTIVATORS/HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-02-06 US disclosed
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 US disclosed
WO-2009004430-A1 N-BENZYL OXAZOLIDINONES AND RELATED HETEROCYCLEIC COMPOUNDS AS POTENTIATORS OF GLUTAMATE RECEPTORS PFIZER INC. (US) 2009-01-08 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 (3 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-10934255-B2 Nrf and HIF activators/HDAC inhibitors and therapeutic methods using the same HIF1AN, KEAP1, NFE2L2 HDAC6 35/4885HDAC1 11/4885HDAC3 32/4885
US-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 HDAC6 76/4885HDAC1 405/4885HDAC3 233/4885
US-20200039933-A1 NRF AND HIF ACTIVATORS/HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HIF1AN, KEAP1, NFE2L2 HDAC6 35/4885HDAC1 11/4885HDAC3 32/4885

“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.