SCHEMBL20002534

SCHEMBL20002534

OC(c1cccc(OCc2ccccc2)c1)c1cccc2cncn12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ALOX5 P09917 4/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
SGMS2 Q8NHU3 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NR4A2 P43354 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAOB P27338 3/20 0.40
ALKBH1 Q13686 1/20 0.40

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
SCHEMBL477599 0.77 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHPGDALOX15TSHR
SCHEMBL10956292 0.76 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHPGDALOX15TSHR
SCHEMBL5772077 0.73 KMT2A (0.62) SMN1; SMN2LMNAHPGDALOX15TSHR
SCHEMBL5911726 0.73 KMT2A (0.62) SMN1; SMN2LMNAHPGDALOX15TSHR
SCHEMBL20001809 0.72 IDO1 (0.55) SMN1; SMN2LMNAHTT
SCHEMBL31067669 0.72 MAOB (0.71) SMN1; SMN2LMNAHPGDALOX15TSHR
SCHEMBL17064305 0.72 MAOB (0.71) SMN1; SMN2LMNAHPGDALOX15TSHR
SCHEMBL20001929 0.72 ALDH1A1 (0.40) SMN1; SMN2LMNAKMT2A
SCHEMBL18137400 0.72 IDO1 (0.49)
SCHEMBL11603161 0.72 KMT2A (0.63) SMN1; SMN2LMNAHPGDALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 WO 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 SMN1; SMN2 2220/4885LMNA 4252/4885HPGD 250/4885

“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.