SCHEMBL4402795

SCHEMBL4402795

CC(C)(C)C1(c2cccc(F)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.42
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
RIPK1 Q13546 1/20 0.33
PDK2 Q15119 2/20 0.33
PDE7A Q13946 1/20 0.32
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL17322977 0.85 HDAC4 (0.47) HDAC4
SCHEMBL803450 0.84 HDAC4 (0.40) HDAC4PDK2
SCHEMBL25450843 0.81 CA2 (0.36)
SCHEMBL802995 0.77 HDAC4 (0.41) HDAC4PDK2PDE7A
SCHEMBL803048 0.77 HDAC4 (0.45) HDAC4PDE7A
SCHEMBL17452149 0.74 HDAC4 (0.46) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL3067734 0.69 HDAC4 (0.46) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL23231960 0.69 HDAC4 (0.50) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL24776640 0.69 HDAC4 (0.46) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL803639 0.68 GRIN1 (0.40) HDAC4HDAC6HDAC3HDAC1HDAC2

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HDAC4 866/4885HDAC6 528/4885HDAC3 286/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HDAC4 866/4885HDAC6 528/4885HDAC3 286/4885

“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.