SCHEMBL22009941

SCHEMBL22009941

CC(C)C(=O)C(N)Cc1ccc(NC(=N)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SPHK1 Q9NYA1 5/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SLC7A5 Q01650 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.38
LTA4H P09960 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL26747607 0.86 ITGB3 (0.41) ITGB3ITGAVITGA2BSMN1; SMN2GAA
SCHEMBL180332 0.83 SLC7A5 (0.57) ITGB3ITGAVITGA2BSMN1; SMN2MAPT
SCHEMBL289162 0.83 SLC7A5 (0.57) ITGB3ITGAVITGA2BSMN1; SMN2MAPT
SCHEMBL180331 0.83 SLC7A5 (0.57) ITGB3ITGAVITGA2BSMN1; SMN2MAPT
SCHEMBL22010051 0.82 L3MBTL1 (0.40) ITGB3ITGAVITGA2BSMN1; SMN2GAA
SCHEMBL11563068 0.82 ALDH1A1 (0.45) ITGB3ITGAVITGA2BSLC7A5CA12
SCHEMBL22009514 0.80 PRSS1 (0.46) ITGB3ITGA2BSLC7A5TAAR1SLC6A2
SCHEMBL20067184 0.79 SMN1; SMN2 (0.49) SMN1; SMN2GAAMAPTCRHBPCRHR2
Acetic Acid SCHEMBL7927157 0.77 BACE1 (0.56) SLC7A5LTA4HROCK2MEN1NPC1
SCHEMBL11653713 0.77 NPR3 (0.39) ITGB3ITGAVITGA2BSPHK1SPHK2

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-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-05-21 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-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS NGLY1, GLMN, GMPS ITGB3 4418/4885ITGAV 4661/4885ITGA2B 4711/4885

“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.