SCHEMBL723897

SCHEMBL723897

CCOC(=O)c1[nH]c2ccccc2c1C1CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
KCNH2 Q12809 1/20 0.54
KDM4E B2RXH2 11/20 0.53
HTR6 P50406 2/20 0.49
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48

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
SCHEMBL24074521 0.88 KDM4E (0.63) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL24074224 0.87 KDM4E (0.61) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL14540680 0.86 KDM4E (0.55) HTR2AHTR2CKCNH2KDM4EHTR6
SCHEMBL2203887 0.82 KDM4E (0.53) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL2204324 0.81 KDM4E (0.53) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL18503045 0.77 HTR2A (0.72) HTR2AHTR2CKCNH2MAPTALDH1A1
SCHEMBL2205903 0.76 KDM4E (0.47) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL2207711 0.74 TUBB4A (0.46) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL4332747 0.73 KDM4E (0.70) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL2880010 0.72 KDM4E (0.66) KDM4EHTR6TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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 (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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HTR2A 2151/4885HTR2C 2313/4885KCNH2 3415/4885

“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.