SCHEMBL8285474

SCHEMBL8285474

O=C(CCCCCC(=O)N(CC(=O)Nc1nc2ccc(Cl)cc2s1)CC(=O)Nc1nc2ccc(Cl)cc2s1)NO

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.74
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ NPC1 O15118 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ DYRK1A Q13627 1/20 0.52
▸ FSCN1 Q16658 1/20 0.52
▸ CASP3 P42574 8/20 0.51
▸ SENP8 Q96LD8 8/20 0.51
▸ SENP7 Q9BQF6 8/20 0.51
▸ SENP6 Q9GZR1 8/20 0.51
▸ PTPN1 P18031 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
SCHEMBL8286924 0.88 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8286320 0.85 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8285353 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8286914 0.76 HDAC1 (0.72) HDAC1MAPTMEN1KMT2APOLB
SCHEMBL27173084 0.75 DYRK1A (0.70) NPC1MAPTDYRK1AFSCN1CASP3
SCHEMBL29477209 0.75 DYRK1A (0.70) NPC1MAPTDYRK1AFSCN1CASP3
SCHEMBL7923452 0.74 DYRK1A (0.68) NPC1MAPTDYRK1AFSCN1CASP3
SCHEMBL9893074 0.74 DYRK1A (0.72) NPC1MAPTDYRK1AFSCN1CASP3
SCHEMBL8234055 0.73 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5928965 0.73 DYRK1A (0.75) NPC1MAPTDYRK1AFSCN1CASP3

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 5/4885HDAC2 7/4885HDAC3 15/4885

“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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