SCHEMBL20150168

SCHEMBL20150168

Cc1nc(-c2ccc([N+](=O)[O-])c(N(C)S(C)(=O)=O)c2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP19A1 P11511 7/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20092155 0.81 TYK2 (0.45) TYK2
SCHEMBL20150151 0.75 ERN1 (0.45) TYK2CYP19A1MAPT
SCHEMBL20150166 0.74 SIRT6 (0.46) TYK2ALDH1A1HTTMAPTHPGD
SCHEMBL20225763 0.74 TSHR (0.53) ALDH1A1CYP19A1KDM4EHTTPOLB
SCHEMBL20150159 0.71 HTT (0.51) TYK2ALDH1A1CYP19A1HTTPOLB
SCHEMBL29686179 0.70 TSHR (0.50) ALDH1A1CYP19A1KDM4EHTTPOLB
SCHEMBL3617121 0.70 CYP19A1 (0.50) ALDH1A1CYP19A1KDM4EHTT
SCHEMBL20150149 0.70 CYP19A1 (0.49) ALDH1A1CYP19A1KDM4EHTTMAPT
SCHEMBL29739895 0.70 CYP19A1 (0.49) ALDH1A1CYP19A1KDM4EHTTMAPT
SCHEMBL26118896 0.70 TSHR (0.50) ALDH1A1CYP19A1KDM4EHTTPOLB

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 TYK2 1/4885ALDH1A1 4827/4885CYP19A1 2724/4885

“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.