SCHEMBL20150169

SCHEMBL20150169

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP19A1 P11511 7/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL20150167 0.78 ALDH1A1 (0.46) PKMSMN1; SMN2HPGDKMT2AMEN1
SCHEMBL20150171 0.76 VCAM1 (0.60) PKMSMN1; SMN2HPGDKMT2AMEN1
SCHEMBL26121327 0.75 CYP19A1 (0.40) PKMSMN1; SMN2KMT2AMEN1CYP19A1
SCHEMBL20150170 0.75 ALDH1A1 (0.44) PKMSMN1; SMN2KMT2AMEN1CYP19A1
SCHEMBL26117446 0.72 MAPT (0.56) SMN1; SMN2HPGDKMT2AMEN1CYP19A1
SCHEMBL29739941 0.72 MAPT (0.56) SMN1; SMN2HPGDKMT2AMEN1CYP19A1
SCHEMBL20225763 0.71 TSHR (0.53) PKMCYP19A1ALDH1A1MAPTKDM4E
SCHEMBL29740109 0.70 CYP19A1 (0.48) CYP19A1ALDH1A1KDM4E
SCHEMBL26116680 0.70 CYP19A1 (0.48) CYP19A1ALDH1A1KDM4E
SCHEMBL23933066 0.68 POLB (0.55) KMT2AMEN1CYP19A1ALDH1A1MAPT

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 THRB 758/4885PKM 1134/4885SMN1; 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.