SCHEMBL20150155

SCHEMBL20150155

CN(c1cc(N2CCC2)ccc1[N+](=O)[O-])S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
MAPT P10636 15/20 0.53
ALDH1A1 P00352 9/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 4/20 0.50
CYP3A4 P08684 1/20 0.49
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL26124496 0.96 HPGD (0.59) HPGDMAPTALDH1A1MAPK1POLB
SCHEMBL27181513 0.89 MAPT (0.63) HPGDMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3613823 0.84 ALDH1A1 (0.54) MAPTALDH1A1MAPK1POLBCYP1A2
SCHEMBL3613825 0.82 HPGD (0.42) HPGDMAPTALDH1A1MAPK1POLB
SCHEMBL20225773 0.82 TYK2 (0.45) HPGDMAPTALDH1A1MAPK1POLB
SCHEMBL3613827 0.81 MAPT (0.38) HPGDMAPTALDH1A1MAPK1POLB
SCHEMBL3613821 0.81 MAPT (0.38) HPGDMAPTALDH1A1MAPK1POLB
SCHEMBL20073418 0.78 LMNA (0.44) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL20073647 0.77 TYK2 (0.41) MAPTALDH1A1MAPK1POLBL3MBTL1
SCHEMBL26511011 0.76 MEN1 (0.46) HPGDMAPTALDH1A1MAPK1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
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 (2 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 HPGD 4476/4885MAPT 1236/4885ALDH1A1 4827/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HPGD 4476/4885MAPT 1236/4885ALDH1A1 4827/4885

“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.