SCHEMBL19486296

SCHEMBL19486296

CCCCOc1ccc(C(=N)NCCNC=N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 2/20 0.43
MMP1 P03956 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL19486293 0.94 NPC1 (0.46) RAB9ANPC1MEN1KMT2ALTA4H
SCHEMBL19486295 0.85 PRSS1 (0.36) RAB9ANPC1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11725735 0.84 PRSS1 (0.49) RAB9ANPC1MEN1KMT2AMMP1
SCHEMBL19486508 0.83 GAA (0.51) RAB9ANPC1MAPTGAATP53
SCHEMBL19486143 0.81 RAB9A (0.49) RAB9ANPC1MEN1KMT2AMMP1
SCHEMBL19486298 0.80 RAB9A (0.48) RAB9ANPC1MEN1KMT2AMMP1
SCHEMBL19486225 0.79 ALDH1A1 (0.55) RAB9ANPC1MEN1KMT2AMMP1
SCHEMBL19486507 0.77 L3MBTL1 (0.48) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL19486297 0.76 L3MBTL1 (0.47) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL7213335 0.76 TP53 (0.50) RAB9ANPC1MAPTGAATP53

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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS RAB9A 2118/4885NPC1 2499/4885MEN1 2524/4885

“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.