SCHEMBL21066367

SCHEMBL21066367

CCNC(=O)c1csc(NC(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL14844533 0.82 L3MBTL1 (0.51) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL19899721 0.82 L3MBTL1 (0.56) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL5224240 0.81 L3MBTL1 (0.54) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL19914275 0.80 PI4KB (0.47) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL2642829 0.80 HIF1A (0.60) RAB9ANPC1SMN1; SMN2TDP1MAPT
SCHEMBL18595010 0.80 ROCK2 (0.59) RAB9ANPC1SMN1; SMN2HIF1AGAA
SCHEMBL12676691 0.80 GAA (0.43) L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL13116110 0.80 AMY1A (0.58) RAB9ATDP1MAPTMAPK1GAA
SCHEMBL163960 0.77 HIF1A (0.42) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2643525 0.76 HIF1A (0.41) L3MBTL1NPC1SMN1; SMN2CYP1A2CYP2C19

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 L3MBTL1 4525/4885RAB9A 1688/4885NPC1 114/4885

“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.