SCHEMBL3559963

SCHEMBL3559963

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.39
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC9A1 P19634 1/20 0.34
BRD1 O95696 1/20 0.34
TAF1 P21675 1/20 0.34
BRPF1 P55201 1/20 0.34
MAPT P10636 1/20 0.33
CCR2 P41597 2/20 0.33
MDM2 Q00987 1/20 0.32
FDPS P14324 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 0.85 MCL1 (0.56) MCL1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL3559968 0.84 MCL1 (0.54) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3566855 0.83 MCL1 (0.38) MCL1CLK1DYRK1ADYRK1BHRH4
Acetonitrile SCHEMBL27699965 0.78 MCL1 (0.48) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3565037 0.78 KDM4E (0.45) KDM4EMAPT
SCHEMBL2322980 0.73 MCL1 (0.71) MCL1SLC9A1MAPT
SCHEMBL5600801 0.72 MCL1 (0.56) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18247738 0.72 FDPS (0.49) MCL1ALDH1A1MAPTCCR2FDPS
SCHEMBL3567444 0.72 PTGS2 (0.38) MCL1HRH4KDM4EALDH1A1HPGD
SCHEMBL689438 0.72 HPGD (0.35) MCL1HRH4KDM4EALDH1A1HPGD

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.