SCHEMBL21241535

SCHEMBL21241535

CSc1ccc(CNCC2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
GAA P10253 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
SLC6A4 P31645 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL18088394 0.81 RAB9A (0.60) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL3861590 0.80 HDAC6 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL7248082 0.78 HDAC6 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL8041968 0.78 SMN1; SMN2 (0.65) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL3085761 0.78 HDAC6 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL7603669 0.78 CXCR4 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL10764797 0.78 CXCR4 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL5188856 0.78 SLC6A4 (0.44) SMN1; SMN2SLC6A4MAPTALDH1A1LMNA
SCHEMBL13792281 0.77 RAB9A (0.56) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL29336471 0.77 HTT (0.62) HDAC6HDAC3HDAC4HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography THE GENERAL HOSPITAL CORPORATION (US) 2020-11-24 US disclosed
US-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2019-08-08 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 (2 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-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC4 8/4885
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC4 8/4885

“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.