SCHEMBL25575773

SCHEMBL25575773

CNC(=O)c1cnc(NC2(c3cc(F)cc(F)c3)CCCCC2)nc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.80
HDAC1 Q13547 20/20 0.80
HDAC2 Q92769 20/20 0.80
HDAC6 Q9UBN7 20/20 0.80

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
SCHEMBL16677851 0.89 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742515 0.84 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4729841 0.82 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL17025843 0.81 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742387 0.81 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742685 0.79 HDAC6 (0.67) HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742560 0.78 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4729593 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4729871 0.77 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL28067236 0.77 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666569-B2 Treatment of polycystic diseases with an HDAC6 inhibitor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) U.S. GOVERNMENT (US) 2023-06-06 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-11666569-B2 Treatment of polycystic diseases with an HDAC6 inhibitor HDAC6, PKD1, PKD2 HDAC3 17/4885HDAC1 4/4885HDAC2 35/4885

“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.