SCHEMBL20150148

SCHEMBL20150148

CSc1cc(-n2ccc(C)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.57
MAPT P10636 9/20 0.37
ALDH1A1 P00352 7/20 0.37
HTR6 P50406 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
AR P10275 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20092093 0.76 HTT (0.45) HTTMAPTALDH1A1HPGDKMT2A
SCHEMBL20150159 0.74 HTT (0.51) HTTMAPTALDH1A1HTR6
SCHEMBL19456984 0.73 HTT (1.00) HTTMAPTALDH1A1LMNAKMT2A
SCHEMBL20150186 0.72 TSHR (0.64) MAPTALDH1A1LMNAKMT2ACYP3A4
SCHEMBL30923148 0.71 HTT (0.68) HTTMAPTALDH1A1LMNAKMT2A
SCHEMBL20501067 0.71 HTT (0.68) HTTMAPTALDH1A1LMNAKMT2A
SCHEMBL28419784 0.69 MAPT (0.64) HTTMAPTALDH1A1HPGDLMNA
SCHEMBL29788602 0.69 MAPT (0.64) HTTMAPTALDH1A1HPGDLMNA
SCHEMBL17720566 0.68 HTT (0.53) HTTMAPTALDH1A1HPGDLMNA
SCHEMBL10566357 0.68 HTT (0.61) HTTMAPTALDH1A1HPGDLMNA

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 1087/4885MAPT 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.