SCHEMBL13949774

SCHEMBL13949774

O=C(/C=C/c1ccc(CN(CCCc2ccccc2)Cc2cccnc2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 1.00
▸ HDAC8 Q9BY41 11/20 1.00
▸ HDAC3 O15379 9/20 1.00
▸ HDAC2 Q92769 9/20 1.00
▸ HDAC4 P56524 8/20 1.00
▸ HDAC7 Q8WUI4 8/20 1.00
▸ HDAC10 Q969S8 8/20 1.00
▸ HDAC11 Q96DB2 8/20 1.00
▸ HDAC6 Q9UBN7 8/20 1.00
▸ HDAC9 Q9UKV0 8/20 1.00
▸ HDAC5 Q9UQL6 8/20 1.00
▸ NAMPT P43490 3/20 0.54
▸ POLB P06746 1/20 0.52
▸ HTR1A P08908 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50

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
SCHEMBL13949772 0.88 HDAC3 (0.78) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL8242058 0.84 HDAC1 (0.72) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL4932223 0.81 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL4932231 0.81 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL4921853 0.80 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL4921863 0.80 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL13949775 0.79 HDAC3 (0.65) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL14394210 0.79 HDAC1 (0.73) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL4930692 0.76 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC2HDAC4
SCHEMBL4930691 0.76 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC2HDAC4

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-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 — — US disclosed
US-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 — — US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 — — US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 — — 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-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC8 10/4885HDAC3 2/4885
US-20090012066-A1 Method of Use of Deacetylase Inhibitors HDAC3, HDAC5, HDAC1 HDAC1 3/4885HDAC8 8/4885HDAC3 1/4885

“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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