SCHEMBL10144689

SCHEMBL10144689

O=C(NCCC1=CCCCC1)c1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.73
NPC1 O15118 7/20 0.73
ALDH1A1 P00352 7/20 0.73
NFKB1 P19838 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
SMN1; SMN2 Q16637 6/20 0.69
HPGD P15428 2/20 0.69
MAPT P10636 7/20 0.62
MAPK1 P28482 1/20 0.62
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 2/20 0.58
KMT2A Q03164 1/20 0.58
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL3456825 0.82 RAB9A (1.00) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL31612285 0.80 RAB9A (0.68) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL6569873 0.78 RAB9A (0.78) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL8167648 0.77 RAB9A (0.72) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL15695713 0.76 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL14433783 0.76 SMN1; SMN2 (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL13210626 0.75 RAB9A (0.69) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL24363257 0.75 RAB9A (0.61) RAB9ANPC1ALDH1A1NFKB1NFKB2
SCHEMBL9491028 0.75 NAMPT (0.70) SMN1; SMN2LMNAKMT2A
SCHEMBL9489991 0.75 NAMPT (0.70) SMN1; SMN2LMNAKMT2A

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 RAB9A 3256/4885NPC1 764/4885ALDH1A1 2125/4885

“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.