SCHEMBL20150170

SCHEMBL20150170

CN(c1cc(C(=O)Cl)ccc1[N+](=O)[O-])S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HCAR3 P49019 3/20 0.43
CYP19A1 P11511 6/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VCAM1 P19320 2/20 0.40
CASP6 P55212 1/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL20150171 0.84 VCAM1 (0.60) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL26121327 0.83 CYP19A1 (0.40) ALDH1A1TSHRHCAR3CYP19A1KMT2A
SCHEMBL26118896 0.80 TSHR (0.50) ALDH1A1TSHRCYP19A1SMN1; SMN2VCAM1
SCHEMBL29686179 0.80 TSHR (0.50) ALDH1A1TSHRCYP19A1SMN1; SMN2VCAM1
SCHEMBL20225763 0.78 TSHR (0.53) ALDH1A1TSHRCYP19A1PKMMAPT
SCHEMBL20150149 0.77 CYP19A1 (0.49) ALDH1A1CYP19A1MAPT
SCHEMBL29739895 0.77 CYP19A1 (0.49) ALDH1A1CYP19A1MAPT
SCHEMBL3617121 0.77 CYP19A1 (0.50) ALDH1A1CYP19A1ATM
SCHEMBL20150169 0.75 THRB (0.40) ALDH1A1HCAR3CYP19A1KMT2AMEN1
SCHEMBL11697178 0.75 HCAR3 (0.74) ALDH1A1TSHRHCAR3SMN1; SMN2VCAM1

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 4827/4885TSHR 1652/4885HCAR3 3413/4885

“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.