SCHEMBL2226393

SCHEMBL2226393

CCOC(=O)c1ccc(/C(N)=N\O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ FHIT P49789 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2226398 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL14672143 1.00 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL7018973 0.84 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6972669 0.81 NPSR1 (0.50) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL5068414 0.78 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL3253491 0.78 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL5023778 0.76 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL7421051 0.76 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2659566 0.75 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6600397 0.75 LMNA (0.62) ALDH1A1HPGDGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 — — EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 — — US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 — — US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 — — WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
WO-2011088181-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 (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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC3 212/4885HDAC4 1441/4885HDAC1 640/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC3 212/4885HDAC4 1441/4885HDAC1 640/4885

“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.

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