SCHEMBL3566049

SCHEMBL3566049

O=C(O)CCCSc1c[nH]c2c(Br)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
DYRK1A Q13627 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
STAT3 P40763 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 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
SCHEMBL3574517 0.85 ALDH1A1 (0.39) ALDH1A1DYRK1ALMNAMAPTHPGD
SCHEMBL10852199 0.78 STAT3 (0.58) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL3558008 0.77 MPO (0.56) ALDH1A1DYRK1AMEN1KMT2ASMN1; SMN2
SCHEMBL21395928 0.73 HTT (0.55) DYRK1AHPGDSMN1; SMN2
SCHEMBL3456298 0.70 PTGS2 (0.59) ALDH1A1PTGS2MAPTSMN1; SMN2
SCHEMBL5058656 0.70 ALDH1A1 (0.45) ALDH1A1DYRK1ALMNAMAPTHPGD
SCHEMBL10857234 0.69 STAT3 (0.61) LMNAMAPTHPGDALOX15STAT3
SCHEMBL3762044 0.69 KDM4E (0.50) ALDH1A1DYRK1ACSNK2A2CSNK2A1LMNA
SCHEMBL13852805 0.68 IDO1 (0.41) ALDH1A1LMNAMAPTHPGDSTAT3
SCHEMBL10851385 0.68 CYP1A2 (0.51) DYRK1AHPGDSMN1; SMN2

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 ALDH1A1 1805/4885DYRK1A 2243/4885CSNK2A2 3964/4885

“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.