SCHEMBL8285353

SCHEMBL8285353

O=C(CCCCCC(=O)N(CC(=O)Nc1nc2ccccc2s1)CC(=O)Nc1nc2ccccc2s1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 1.00
▸ HDAC6 Q9UBN7 6/20 0.63
▸ HDAC2 Q92769 4/20 0.63
▸ HDAC8 Q9BY41 4/20 0.63
▸ HDAC3 O15379 3/20 0.63
▸ HDAC4 P56524 3/20 0.63
▸ HDAC7 Q8WUI4 3/20 0.63
▸ HDAC10 Q969S8 3/20 0.63
▸ HDAC11 Q96DB2 3/20 0.63
▸ HDAC9 Q9UKV0 3/20 0.63
▸ HDAC5 Q9UQL6 3/20 0.63
▸ MAPT P10636 2/20 0.60
▸ POLB P06746 1/20 0.55
▸ ACP1 P24666 1/20 0.54
▸ MAPK1 P28482 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CSNK1D P48730 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ NFKB1 P19838 1/20 0.52

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
SCHEMBL8234055 0.88 HDAC1 (0.79) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL8286924 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL8285474 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL8286914 0.84 HDAC1 (0.72) HDAC1MAPTPOLBMAPK1ALDH1A1
SCHEMBL8286320 0.83 HDAC1 (0.70) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3239389 0.78 POLB (0.82) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL20369717 0.77 MAPT (0.77) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL27622427 0.77 MAPT (0.77) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL10695859 0.76 MAPT (0.75) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL8286315 0.76 HDAC1 (0.72) HDAC1HDAC6HDAC2HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 — — US disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 — — US disclosed
WO-2005053610-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-06-16 — — 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-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives AADAC, BRDT, HDAC5 HDAC1 5/4885HDAC6 10/4885HDAC2 7/4885

“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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