SCHEMBL8285479

SCHEMBL8285479

Cn1c(NC(=O)CN(CC(=O)Nc2nc3ccccc3n2C)C(=O)CCCCCC(=O)NO)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.60
▸ HDAC6 Q9UBN7 4/20 0.57
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HDAC2 Q92769 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE11A Q9HCR9 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL719215 0.76 HDAC1 (0.62) HDAC1HDAC6HDAC2ALDH1A1SMN1; SMN2
SCHEMBL8286315 0.75 HDAC1 (0.72) HDAC1HDAC6HDAC2KDM4E
SCHEMBL8285353 0.75 HDAC1 (1.00) HDAC1HDAC6NPC1RAB9AHDAC2
SCHEMBL2282577 0.73 HDAC6 (1.00) HDAC1HDAC6HDAC2
SCHEMBL20545517 0.73 ALDH1A1 (0.54) HDAC1HDAC6HDAC2NPSR1KDM4E
SCHEMBL4867130 0.72 RAB9A (0.59) HDAC6NPC1RAB9ANPSR1SAE1
SCHEMBL7932793 0.72 RAB9A (0.62) NPC1RAB9ANPSR1SAE1UBA2
SCHEMBL4004290 0.72 RAB9A (0.62) NPC1RAB9ANPSR1SAE1UBA2
SCHEMBL12104181 0.69 HDAC1 (0.77) HDAC1HDAC6HDAC2
SCHEMBL8285467 0.69 HDAC1 (0.66) HDAC1HDAC6NPC1RAB9AHDAC2

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 10/4885NPC1 4637/4885

“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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