SCHEMBL12010974

SCHEMBL12010974

CC(CC(C)C)=NNC(=O)c1ccc(Cl)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ ALOX12 P18054 1/20 0.41

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
SCHEMBL21797169 0.86 GAA (0.55) GAARAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21797168 0.86 GAA (0.55) GAARAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21433603 0.85 GAA (0.47) GAARAB9ASMN1; SMN2KDM4EKLKB1
SCHEMBL21433602 0.85 GAA (0.47) GAARAB9ASMN1; SMN2KDM4EKLKB1
SCHEMBL5705557 0.81 GAA (0.68) GAARAB9ASMN1; SMN2KDM4EKDM1A
SCHEMBL1843216 0.81 GAA (0.68) GAARAB9ASMN1; SMN2KDM4EKDM1A
SCHEMBL1843219 0.81 GAA (0.68) GAARAB9ASMN1; SMN2KDM4EKDM1A
SCHEMBL30240785 0.81 GAA (0.68) GAARAB9ASMN1; SMN2KDM4EKDM1A
SCHEMBL21433610 0.80 GAA (0.55) GAARAB9ASMN1; SMN2KDM4EKDM1A
SCHEMBL21433611 0.80 GAA (0.55) GAARAB9ASMN1; SMN2KDM4EKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 — — US disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 — — US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 — — US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 — — 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-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA GAA 603/4885RAB9A 1273/4885SMN1; SMN2 4873/4885

“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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