SCHEMBL25835864

SCHEMBL25835864

CCc1ccc(-n2cnnc2COC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MGLL Q99685 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM1 Q13255 2/20 0.33
CACNA2D1 P54289 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL25835868 0.84 L3MBTL1 (0.36) TDP1GAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL25835919 0.78 MAPK1 (0.43) TDP1APOBEC3GMGLLGAAALDH1A1
SCHEMBL25835889 0.76 SMN1; SMN2 (0.39) TDP1APOBEC3GMGLLALDH1A1MAPK1
SCHEMBL23975974 0.72 KMT2A (0.40) TDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL25835846 0.70 MGLL (0.35) TDP1APOBEC3GMGLLGAAALDH1A1
SCHEMBL25835857 0.68 PARP15 (0.35) TDP1APOBEC3GMGLLGAAALDH1A1
SCHEMBL31754153 0.67 OPRD1 (0.55) GAAALDH1A1ALOX15BCYP1A2CYP3A4
SCHEMBL2094813 0.67 TP53 (0.46) TDP1GAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL6499444 0.64 QPCT (0.55) TDP1APOBEC3GMGLLALDH1A1NPC1
SCHEMBL13497923 0.62 ERN1 (0.42) TDP1ALDH1A1TP53

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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 TDP1 3170/4885APOBEC3G 1885/4885MGLL 4014/4885

“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.