SCHEMBL3779303

SCHEMBL3779303

C[C@H]1c2ccccc2N(O)C(=O)[C@H]1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 13/20 1.00
KYAT3 Q6YP21 3/20 0.46
KYAT1 Q16773 2/20 0.46
GOT1 P17174 1/20 0.46
NOTUM Q6P988 1/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3786010 1.00 AADAT (1.00) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL16612984 1.00 AADAT (1.00) AADATKYAT3KYAT1GOT1NOTUM
Hydrochloric Acid SCHEMBL16612967 0.98 AADAT (0.97) AADATKYAT3KYAT1GOT1NOTUM
Hydrochloric Acid SCHEMBL16612968 0.98 AADAT (0.97) AADATKYAT3KYAT1GOT1NOTUM
Hydrochloric Acid SCHEMBL16612966 0.98 AADAT (0.97) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL6971389 0.78 AADAT (0.64) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL31381632 0.78 AADAT (0.64) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL4885859 0.78 AADAT (0.64) AADATKYAT3KYAT1GOT1GAA
SCHEMBL22631177 0.74 AADAT (0.58) AADATKYAT3KYAT1GOT1NOTUM
SCHEMBL3774105 0.71 AADAT (0.55) AADATGAAMAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B AADAT 2284/4885KYAT3 129/4885KYAT1 69/4885

“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.