SCHEMBL3566855

SCHEMBL3566855

Cn1c(C(=O)C=O)cc2cccc(Br)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.38
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC9A1 P19634 1/20 0.33
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL689437 0.84 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3559963 0.83 MCL1 (0.39) MCL1CLK1DYRK1ADYRK1BHRH4
Hydrochloric Acid SCHEMBL3559968 0.83 MCL1 (0.54) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3565037 0.77 KDM4E (0.45) KDM4EMAPTMEN1NPC1RAB9A
Acetonitrile SCHEMBL27699965 0.77 MCL1 (0.48) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3554228 0.76 TRIM24 (0.36) HRH4ALDH1A1BRD1TAF1BRPF1
SCHEMBL10350688 0.73 MCL1 (0.69) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL5266851 0.72 AKR1C3 (0.38) ALDH1A1KDM4ERAB9A
SCHEMBL5266857 0.72 AKR1C3 (0.38) ALDH1A1KDM4ERAB9A
SCHEMBL3567444 0.71 PTGS2 (0.38) MCL1HRH4ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP 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
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 MCL1 3898/4885CLK1 3841/4885DYRK1A 2243/4885

“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.