SCHEMBL10068153

SCHEMBL10068153

CC(C)Oc1ccc2c(c1)N(O)C(=O)[C@@H](NCl)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 3/20 0.49
▸ KYAT1 Q16773 1/20 0.49
▸ KYAT3 Q6YP21 1/20 0.49
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL10067493 0.87 AADAT (0.46) AADATKYAT1KYAT3XIAP
SCHEMBL6763281 0.81 AADAT (0.74) AADATKYAT1KYAT3
SCHEMBL9886291 0.76 AADAT (0.47) AADATKYAT1KYAT3LMNAMEN1
SCHEMBL10067844 0.73 AADAT (0.43) AADATKYAT1KYAT3MAPTALDH1A1
SCHEMBL3769896 0.72 AADAT (0.64) AADATKYAT1KYAT3
SCHEMBL9886290 0.71 AADAT (0.43) AADATKYAT1KYAT3GAAXIAP
SCHEMBL3774766 0.70 AADAT (0.67) AADATKYAT1KYAT3
SCHEMBL3771910 0.70 AADAT (0.67) AADATKYAT1KYAT3
SCHEMBL9109650 0.69 FFAR4 (0.35) AADATKYAT1KYAT3LMNAPOLB
SCHEMBL9886293 0.69 KDM1A (0.38) AADATKYAT1KYAT3LMNAPOLB

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-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 — — US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 — — 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-20120142729-A1 KAT ll INHIBITORS KAT7, KAT2A, KATNA1 AADAT 1043/4885KYAT1 46/4885KYAT3 90/4885

“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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