SCHEMBL6097642

SCHEMBL6097642

OC[C@@H]1CSc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PMP22 Q01453 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
HTR2B P41595 1/20 0.37
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
DRD3 P35462 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
SCHEMBL11638248 0.80 ADRA1A (0.44) ADRA1ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL14367876 0.78 ADRA1A (0.51) ADRA1ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL11222841 0.78 ADRA1A (0.43) ADRA1ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL14367858 0.78 ADRA1A (0.51) ADRA1ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL9302494 0.76 ADRA1A (0.49) ADRA1ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL7004047 0.73 CYP2A6 (0.34) ADRA1ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL24214454 0.72 NISCH (0.46) ADRA1ATP53CYP1A2CYP3A4CYP2D6
SCHEMBL2255761 0.72 HRH3 (0.49) TSHRNISCHHTR1A
SCHEMBL5108298 0.72 HRH3 (0.49) TSHRNISCHHTR1A
SCHEMBL2552632 0.70 NISCH (0.42) TP53TSHRCYP2C19KMT2AMEN1

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-7153852-B2 Indole compounds, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1424325-A1 INDOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP 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-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient IDO1, IDO2, PTGIR ADRA1A 163/4885TP53 2757/4885CYP1A2 1013/4885

“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.