SCHEMBL19486142

SCHEMBL19486142

CCCOc1ccc(C(=N)NCCN)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PRSS1 P07477 6/20 0.45
TMPRSS2 O15393 2/20 0.44
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PRMT1 Q99873 3/20 0.42
F2 P00734 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
PLAU P00749 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL19486143 0.94 RAB9A (0.49) NPC1MAPTRAB9APRSS1TMPRSS2
SCHEMBL19486297 0.91 L3MBTL1 (0.47) PLK1NPC1MAPTNFKB1RAB9A
SCHEMBL19486298 0.87 RAB9A (0.48) NPC1MAPTRAB9APRSS1TMPRSS2
SCHEMBL19486507 0.87 L3MBTL1 (0.48) PLK1NPC1MAPTNFKB1RAB9A
SCHEMBL21911445 0.84 MAPK1 (0.52) SMN1; SMN2L3MBTL1PRSS1TMPRSS2ALDH1A1
SCHEMBL19481621 0.84 PRSS1 (0.41) NPC1RAB9APRSS1TMPRSS2ALDH1A1
SCHEMBL19489497 0.82 ALDH1A1 (0.55) PLK1NPC1MAPTNFKB1RAB9A
SCHEMBL750341 0.82 NPC1 (0.67) PLK1NPC1MAPTNFKB1RAB9A
Hydrochloric Acid SCHEMBL11725735 0.81 PRSS1 (0.49) NPC1RAB9APRSS1
SCHEMBL19486293 0.81 NPC1 (0.46) PLK1NPC1MAPTNFKB1RAB9A

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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 US disclosed
WO-2017180794-A1 DEUTERATED O-SULFATED BETA-LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA-LACTAMS SKYLINE ANTIINFECTIVES, INC. (US) 2017-10-19 WO 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS PLK1 1675/4885NPC1 2499/4885MAPT 4127/4885

“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.