SCHEMBL3604257

SCHEMBL3604257

O=C(NO)c1ccc(CN(Cc2nccs2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.52
HDAC1 Q13547 18/20 0.52
HDAC8 Q9BY41 6/20 0.52
HDAC3 O15379 3/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC2 Q92769 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL3608862 0.83 TRPM8 (0.42) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL3602101 0.78 NPC1 (0.50)
SCHEMBL3608838 0.77 CYP2C9 (0.54)
SCHEMBL3612223 0.76 HDAC6 (0.83) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL3610564 0.76 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL1855827 0.74 NAAA (0.47) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL3608521 0.73 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL3608552 0.73 SLC6A7 (0.57)
SCHEMBL20132429 0.73 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC3HDAC10
SCHEMBL3607450 0.72 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 HDAC6 90/4885HDAC1 307/4885HDAC8 1066/4885

“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.