SCHEMBL16631769

SCHEMBL16631769

O=c1nc2[nH]cccc-2cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MPI P34949 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
NOTUM Q6P988 1/20 0.32
TYMP P19971 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL18081960 0.79 RAB9A (0.40) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL16631462 0.76 SMN1; SMN2 (0.36) GAAALDH1A1MTORADKNISCH
SCHEMBL16631766 0.76 NAPRT (0.49) GAAALDH1A1HPGDMAPTNPC1
SCHEMBL18080446 0.75 NPC1 (0.32) GAAALDH1A1HPGDHSD17B10MTOR
SCHEMBL9696096 0.73 BTK (0.40) DCUN1D1GAAALDH1A1HPGDMTOR
SCHEMBL16631775 0.71 KDM4E (0.42) GAAALDH1A1HPGDMAPT
SCHEMBL6436382 0.69 NISCH (0.41) GAAALDH1A1HPGDMTORADK
SCHEMBL1759020 0.68 MCL1 (0.43) GAAALDH1A1HPGDALOX15MAPT
SCHEMBL16631414 0.65 NR1I3 (0.35) DCUN1D1GAAALDH1A1HPGDALOX15
SCHEMBL18081957 0.64 NR1I3 (0.41) DCUN1D1GAAALDH1A1HPGDALOX15

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 DCUN1D1 580/4885GAA 973/4885ALDH1A1 4189/4885

“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.