SCHEMBL2354493

SCHEMBL2354493

CN1CCC(CNC(=O)CCCc2noc(C(F)(F)F)n2)(c2csc(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HDAC2 Q92769 1/20 0.37
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
THRB P10828 1/20 0.36
TP53 P04637 4/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 2/20 0.35
P2RX7 Q99572 1/20 0.35
ENPP2 Q13822 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL14603750 0.81 HDAC4 (0.37) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL2227407 0.79 HDAC4 (0.68) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL2225402 0.79 HDAC4 (0.55) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL2224060 0.79 HDAC4 (0.38) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL6976683 0.71 HDAC4 (0.64) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL14752464 0.71 HDAC4 (0.54) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL14752336 0.70 HDAC4 (0.43) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL2228051 0.70 HDAC6 (0.47) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL12517323 0.69 HDAC4 (0.66) HDAC4HDAC6HDAC8HDAC7HDAC9
SCHEMBL2223400 0.69 GFER (0.45) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US claimed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP claimed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO claimed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (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-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 2086/4885HDAC6 1991/4885HDAC8 2221/4885

“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.