SCHEMBL5969830

SCHEMBL5969830

O=C([O-])c1ccc2nc[nH]c2c1.[Cs+]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.66
▸ RAB9A P51151 5/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ HTT P42858 3/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ CTNNB1 P35222 2/20 0.59
▸ WNT3A P56704 2/20 0.59
▸ POLB P06746 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ NPC1 O15118 5/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 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
SCHEMBL31186990 0.96 HDAC6 (0.66) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL5969827 0.88 HDAC6 (0.51) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL5946 0.84 RAB9A (0.71) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL5777206 0.82 HDAC6 (0.66) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL31321875 0.82 HDAC6 (0.66) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL31025406 0.82 HDAC6 (0.66) HDAC6RAB9ASMN1; SMN2HTTKDM4E
Hydrochloric Acid SCHEMBL2725220 0.82 RAB9A (0.69) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL476587 0.82 HDAC6 (0.66) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL3776194 0.82 HDAC6 (0.66) HDAC6RAB9ASMN1; SMN2HTTKDM4E
Ammonia Solution, Strong SCHEMBL28553547 0.82 RAB9A (0.69) HDAC6RAB9ASMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128608-A1 Novel chemical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2006-06-15 — — 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-20060128608-A1 Novel chemical compounds and their use PGLS, ABCG2, UGCG HDAC6 359/4885RAB9A 1506/4885SMN1; SMN2 4826/4885

“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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