SCHEMBL23229352

SCHEMBL23229352

C=C(C)c1ccnc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 3/20 0.32
KDM4C Q9H3R0 3/20 0.32
KDM6B O15054 2/20 0.32
KDM5C P41229 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM3A Q9Y4C1 2/20 0.32
TET3 O43151 1/20 0.32
KDM4A O75164 1/20 0.32
BBOX1 O75936 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL9444934 0.78 ALDH1A1 (0.45) HTTTSHRLMNAMEN1MAPK1
SCHEMBL9444878 0.78 UHRF1 (0.48) HTTTSHRLMNAMEN1MAPK1
SCHEMBL16186718 0.78 MEN1 (0.43) HTTMEN1KMT2AKDM4EKDM4C
SCHEMBL9444899 0.78 ALDH1A1 (0.50) HTTTSHRLMNAMEN1MAPK1
SCHEMBL5700429 0.77 HTT (0.33) HTTTSHRLMNAMEN1MAPK1
SCHEMBL15922749 0.77 TAS1R3 (0.41) HTTTSHRLMNAMEN1MAPK1
SCHEMBL30820861 0.77 RECQL (0.44) HTTTSHRLMNAMEN1MAPK1
SCHEMBL5700471 0.77 IDO1 (0.37) HTTTSHRLMNAMEN1MAPK1
SCHEMBL5700002 0.77 RECQL (0.44) HTTTSHRLMNAMEN1MAPK1
SCHEMBL16604296 0.77 GABRP (0.57) HTTTSHRLMNAMEN1MAPK1

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-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 HTT 166/4885TSHR 3020/4885LMNA 3294/4885

“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.