SCHEMBL6098334

SCHEMBL6098334

Cc1ccc2c(c1)N(C)C[C@@H](CO)O2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.42
RORC P51449 1/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 2/20 0.39
PTGIR P43119 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL7817626 1.00 NISCH (0.48) NISCHMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL5645322 0.89 NISCH (0.50) NISCHMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL7817445 0.84 NISCH (0.48) NISCHALDH1A1SMN1; SMN2TP53MEN1
SCHEMBL31378741 0.83 RORC (0.39) NISCHMAOAMAOBRORCTHRB
SCHEMBL6100304 0.83 NISCH (0.49) NISCHMAOAMAOBTP53MEN1
SCHEMBL7820300 0.82 TP53 (0.49) NISCHALDH1A1SMN1; SMN2TP53MEN1
SCHEMBL6102026 0.82 CASR (0.49) NISCHPTGIR
SCHEMBL1689633 0.82 CASR (0.49) NISCHPTGIR
SCHEMBL731248 0.82 CASR (0.49) NISCHPTGIR
SCHEMBL14367874 0.82 NISCH (0.46) NISCHMAOAALDH1A1SMN1; SMN2TP53

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 NISCH 1449/4885MAOA 314/4885MAOB 298/4885

“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.