SCHEMBL20150167

SCHEMBL20150167

CCO/C(C)=N\C(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSD17B2 P37059 1/20 0.42
PTGER4 P35408 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
SCHEMBL5205744 0.83 MAPK1 (0.52) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL5205736 0.83 MAPK1 (0.52) ALDH1A1MAPTSMN1; SMN2HPGDKMT2A
SCHEMBL5925578 0.82 HSD17B2 (0.62) ALDH1A1MAPTSMN1; SMN2PKMHPGD
SCHEMBL25384692 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2PKMKMT2A
SCHEMBL29750556 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2PKMKMT2A
SCHEMBL6989419 0.78 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2PKMKMT2A
SCHEMBL20150169 0.78 THRB (0.40) ALDH1A1MAPTSMN1; SMN2PKMHPGD
SCHEMBL2946181 0.77 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL15540054 0.76 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL16961068 0.75 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AGAA

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 ALDH1A1 4827/4885MAPT 1236/4885SMN1; SMN2 1145/4885

“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.