SCHEMBL12467263

SCHEMBL12467263

Oc1cc(Cl)ccc1-c1nn[nH]n1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.78
RPA1 P27694 1/20 0.55
XDH P47989 1/20 0.52
LDHA P00338 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR35 Q9HC97 4/20 0.49
KDM4E B2RXH2 3/20 0.48
ALOX12 P18054 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
ALK Q9UM73 1/20 0.47
GRIK1 P39086 1/20 0.47
POLB P06746 1/20 0.44
MAP4K4 O95819 1/20 0.43

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
SCHEMBL13113123 0.84 IDO1 (0.65) IDO1RPA1XDHLDHAMEN1
SCHEMBL5607916 0.83 IDO1 (0.68) IDO1RPA1XDHLDHAMEN1
SCHEMBL13113385 0.80 IDO1 (0.70) IDO1RPA1XDHLDHAMEN1
SCHEMBL5607418 0.80 IDO1 (0.59) IDO1RPA1XDHLDHAMEN1
SCHEMBL18262946 0.79 IDO1 (0.54) IDO1LDHAMEN1KMT2AALDH1A1
SCHEMBL25256300 0.77 IDO1 (0.66) IDO1RPA1XDHLDHAMEN1
SCHEMBL19554299 0.77 IDO1 (1.00) IDO1RPA1XDHLDHAMEN1
SCHEMBL30042814 0.77 XDH (0.79) IDO1RPA1XDHLDHAMEN1
SCHEMBL23529297 0.77 XDH (0.79) IDO1RPA1XDHLDHAMEN1
SCHEMBL14556369 0.76 IDO1 (0.58) IDO1RPA1LDHAGPR35

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-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 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-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 IDO1 2179/4885RPA1 3393/4885XDH 1797/4885

“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.