SCHEMBL21947585

SCHEMBL21947585

CCOC(=O)[C@H](N)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.48
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
TBXAS1 P24557 2/20 0.45
CYP3A4 P08684 2/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7337155 1.00 FDPS (0.48) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL20543866 1.00 FDPS (0.48) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL29657240 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL29115300 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL29115298 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
Hydrochloric Acid SCHEMBL6980665 0.99 FDPS (0.47) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL19699200 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL2058766 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL29627252 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1
SCHEMBL1693107 0.87 ALDH1A1 (0.49) FDPSKMT2APKMNAPRTTBXAS1

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-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 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 (2 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-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A FDPS 232/4885KMT2A 4501/4885PKM 3140/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 FDPS 578/4885KMT2A 4408/4885PKM 2439/4885

“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.