SCHEMBL6490028

SCHEMBL6490028

Nc1c(Cl)cc(C(=O)C[C@@H](N)C(=O)O)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.69
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6490023 1.00 KMO (0.69) KMOKDM4EHIF1ATDP1
SCHEMBL7797582 0.81 KMO (1.00) KMO
SCHEMBL7797593 0.81 KMO (1.00) KMO
SCHEMBL7797590 0.81 KMO (1.00) KMO
Hydrochloric Acid SCHEMBL8057534 0.80 KMO (1.00) KMO
Hydrochloric Acid SCHEMBL8393037 0.80 KMO (1.00) KMO
Hydrochloric Acid SCHEMBL7908769 0.80 KMO (1.00) KMO
Bromide SCHEMBL6485753 0.78 KMO (0.50) KMOKDM4EHIF1ATDP1
Bromide SCHEMBL6479497 0.78 KMO (0.50) KMOKDM4EHIF1ATDP1
SCHEMBL7791510 0.75 KMO (0.68) KMO

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-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US disclosed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 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-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 KMO 3092/4885KDM4E 4675/4885HIF1A 837/4885

“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.