SCHEMBL20150159

SCHEMBL20150159

Cc1ccn(-c2ccc([N+](=O)[O-])c(N(C)S(C)(=O)=O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
TYK2 P29597 1/20 0.40
CYP19A1 P11511 8/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KAT6A Q92794 1/20 0.34
MAPT P10636 4/20 0.33
CYP2C9 P11712 1/20 0.33
HTR6 P50406 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
SCHEMBL20091857 0.80 TYK2 (0.44) HTTTYK2ALDH1A1KAT6AMAPT
SCHEMBL20150156 0.80 TYK2 (0.45) TYK2CYP19A1POLBALDH1A1KAT6A
SCHEMBL20150155 0.75 HPGD (0.53) HTTPOLBALDH1A1MAPTCYP2C9
SCHEMBL20225763 0.75 TSHR (0.53) HTTCYP19A1POLBALDH1A1MAPT
SCHEMBL26124496 0.74 HPGD (0.59) HTTPOLBALDH1A1MAPTCYP2C9
SCHEMBL20150148 0.74 HTT (0.57) HTTALDH1A1MAPTHTR6
SCHEMBL27181513 0.72 MAPT (0.63) ALDH1A1MAPTCYP2C9
SCHEMBL29686179 0.71 TSHR (0.50) HTTCYP19A1POLBALDH1A1MAPT
SCHEMBL3617121 0.71 CYP19A1 (0.50) HTTCYP19A1ALDH1A1
SCHEMBL29739895 0.71 CYP19A1 (0.49) HTTCYP19A1ALDH1A1MAPT

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 HTT 1087/4885TYK2 1/4885CYP19A1 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.