SCHEMBL19486293

SCHEMBL19486293

CCCOc1ccc(C(=N)NCCNC=N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLK1 P53350 1/20 0.46
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
ACACB O00763 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40

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
SCHEMBL19486296 0.94 RAB9A (0.46) NPC1RAB9AMAPTSMN1; SMN2LTA4H
SCHEMBL19486295 0.85 PRSS1 (0.36) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL19486507 0.83 L3MBTL1 (0.48) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL19486142 0.81 PLK1 (0.49) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL19486297 0.79 L3MBTL1 (0.47) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL19489497 0.79 ALDH1A1 (0.55) NPC1RAB9AMAPTNFKB1NFKB2
Hydrochloric Acid SCHEMBL11725735 0.78 PRSS1 (0.49) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL19486508 0.77 GAA (0.51) NPC1RAB9AMAPTGAALMNA
SCHEMBL3275310 0.76 PLK1 (0.56) MAPTSMN1; SMN2PLK1LTA4HL3MBTL1
SCHEMBL19486143 0.75 RAB9A (0.49) NPC1RAB9AMAPTMEN1KMT2A

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 NPC1 2499/4885RAB9A 2118/4885MAPT 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.