SCHEMBL2741074

SCHEMBL2741074

COCC1Cc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
CYP19A1 P11511 3/20 0.42
DRD3 P35462 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL13155986 0.86 CYP19A1 (0.50) IDO1CYP19A1ADRA1DADRA1AADRA1B
SCHEMBL10447562 0.78 IDO1 (0.44) IDO1CYP19A1DRD3ADRA2A
SCHEMBL13313179 0.78 IDO1 (0.63) IDO1CYP19A1DRD3ADRA2AADRA1D
SCHEMBL7418106 0.78 MTNR1A (0.55) IDO1CYP19A1TRPM5
SCHEMBL7418105 0.78 MTNR1A (0.55) IDO1CYP19A1TRPM5
SCHEMBL8561678 0.78 MTNR1A (0.55) IDO1CYP19A1TRPM5
SCHEMBL22622095 0.77 TRPM5 (0.46) CYP19A1DRD3TRPM5HTR2A
SCHEMBL13155622 0.75 IDO1 (0.36) IDO1DRD3TRPM5HTR2A
SCHEMBL13313204 0.75 IDO1 (0.55) IDO1CYP19A1DRD3ADRA1DADRA1A
SCHEMBL7685050 0.74 ALDH1A1 (0.44) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 IDO1 3/4885CYP19A1 1001/4885DRD3 977/4885

“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.