SCHEMBL13614185

SCHEMBL13614185

CCNCc1c[nH]nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAP3K8 P41279 1/20 0.38
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 1/20 0.36
TTK P33981 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CHRM1 P11229 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GFER P55789 1/20 0.34
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CD274 Q9NZQ7 2/20 0.33
HPGDS O60760 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL18095847 0.84 HRH4 (0.43) CHRM1
SCHEMBL17790236 0.83 ALOX15 (0.39) GAAALOX15SMN1; SMN2TTKALDH1A1
SCHEMBL11624564 0.81 ALOX15 (0.41) GAAALOX15SMN1; SMN2TTKALDH1A1
SCHEMBL11123121 0.81 ALOX15 (0.43) GAAALOX15SMN1; SMN2TTKALDH1A1
SCHEMBL13958922 0.81 ALDH1A1 (0.39) ALOX15SMN1; SMN2ADRB2TTKALDH1A1
SCHEMBL6323192 0.80 IDO1 (0.39) GAAALOX15SMN1; SMN2TTKALDH1A1
SCHEMBL28986046 0.80 HSD11B1 (0.43)
SCHEMBL2219196 0.76 MEN1 (0.51) ALOX15SMN1; SMN2ALDH1A1CHRM1HTT
SCHEMBL14094653 0.75 RIPK1 (0.42) GAAALOX15SMN1; SMN2TTKALDH1A1
SCHEMBL14036889 0.75 KDM4E (0.44) GAAALOX15SMN1; SMN2TTKALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP GAA 1055/4885MAP3K8 2867/4885ALOX15 228/4885

“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.