SCHEMBL21222643

SCHEMBL21222643

Cc1n[nH]c(NC(=O)O)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 3/20 0.34
HPGD P15428 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 2/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 2/20 0.32
FPR1 P21462 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL20064247 0.79 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2GAAHSD17B10
SCHEMBL13184399 0.70 ALDH1A1 (0.33) ALDH1A1LRRK2HPGDSMN1; SMN2GAA
SCHEMBL4355544 0.70 ALDH1A1 (0.35) ALDH1A1LMNAL3MBTL1HPGDSMN1; SMN2
SCHEMBL171417 0.70 KDM4C (0.46) ALDH1A1LMNALRRK2HPGDSMN1; SMN2
SCHEMBL4358069 0.69
SCHEMBL4361606 0.68
SCHEMBL15657196 0.66 GSK3A (0.42) ALDH1A1LMNAHPGDSMN1; SMN2HSD17B10
SCHEMBL15556607 0.66
SCHEMBL11351649 0.66 HPGD (0.38) ALDH1A1LMNAHPGDSMN1; SMN2HSD17B10
SCHEMBL1923507 0.65

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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885LMNA 1681/4885L3MBTL1 3465/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885LMNA 1681/4885L3MBTL1 3465/4885

“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.