SCHEMBL4097078

SCHEMBL4097078

C[C@@H]1CN([C@@H](CO)c2cccnc2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
SLC1A2 P43004 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.41
SLC6A9 P48067 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
SCHEMBL4106918 1.00 TP53 (0.44) TP53SLC1A2KDM4EALDH1A1HSD17B10
SCHEMBL4094701 0.87 SLC6A9 (0.50) SLC6A9
SCHEMBL4088265 0.81 SLC6A9 (0.36) SLC6A9
SCHEMBL4102727 0.81 SLC6A9 (0.36) SLC6A9
SCHEMBL4104611 0.76 SLC6A2 (0.45) TP53SLC1A2KDM4EALDH1A1HSD17B10
SCHEMBL4105919 0.76 SLC6A2 (0.45) TP53SLC1A2KDM4EALDH1A1HSD17B10
SCHEMBL4977205 0.76 SLC6A2 (0.45) TP53SLC1A2KDM4EALDH1A1HSD17B10
SCHEMBL4103924 0.76 SLC6A9 (0.49) SLC6A9
SCHEMBL18263843 0.73 SLC6A9 (0.66) ALDH1A1SLC6A9
SCHEMBL18263721 0.73 SLC6A9 (0.66) ALDH1A1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT TP53 2149/4885SLC1A2 3477/4885KDM4E 3298/4885

“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.