SCHEMBL20150146

SCHEMBL20150146

COc1c(/C=C(\C)[N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ERN1 O75460 1/20 0.46
FBP1 P09467 1/20 0.45
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP19A1 P11511 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRMT1 Q99873 1/20 0.41
AR P10275 1/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GALR3 O60755 1/20 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
SCHEMBL8627945 0.84 PRMT1 (0.60) MAPTERN1FBP1ALDH1A1TDP1
SCHEMBL8627943 0.84 PRMT1 (0.60) MAPTERN1FBP1ALDH1A1TDP1
SCHEMBL16960614 0.81 MAPT (0.49) MAPTNPSR1ERN1ALDH1A1TDP1
SCHEMBL1070703 0.81 FBP1 (0.62) MAPTNPSR1ERN1FBP1ALDH1A1
SCHEMBL1070702 0.81 FBP1 (0.62) MAPTNPSR1ERN1FBP1ALDH1A1
SCHEMBL2885741 0.80 ERN1 (0.57) MAPTNPSR1ERN1ALDH1A1TDP1
SCHEMBL8552969 0.78 TDP1 (0.47) MAPTNPSR1ERN1ALDH1A1TDP1
SCHEMBL7510757 0.78 ERN1 (0.74) MAPTNPSR1ERN1ALDH1A1SMN1; SMN2
SCHEMBL7218609 0.78 FBP1 (0.46) MAPTNPSR1ERN1FBP1ALDH1A1
SCHEMBL7218614 0.78 FBP1 (0.46) MAPTNPSR1ERN1FBP1ALDH1A1

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885NPSR1 4287/4885ERN1 845/4885

“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.