SCHEMBL5020834

SCHEMBL5020834

C[n+]1c(C=CNc2ccccc2)sc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 1.00
▸ MAPT P10636 5/20 0.68
▸ HTT P42858 4/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ LMNA P02545 3/20 0.68
▸ MMP14 P50281 2/20 0.68
▸ THRB P10828 2/20 0.68
▸ ADRB1 P08588 2/20 0.52
▸ INSR P06213 7/20 0.50
▸ POLB P06746 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SNCA P37840 1/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11289314 1.00 ADRB2 (1.00) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL30924935 1.00 ADRB2 (1.00) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL5020847 0.90 ADRB2 (0.81) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL14982733 0.86 ADRB2 (0.75) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL3766308 0.84 ADRB2 (0.71) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL3766310 0.84 ADRB2 (0.71) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL13672949 0.82 MAPT (0.97) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL14985546 0.80 ADRB2 (0.65) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL26845318 0.79 MAPT (0.72) ADRB2MAPTHTTMEN1KMT2A
SCHEMBL14561804 0.76 ADRB2 (0.61) ADRB2MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670476-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2017-06-06 — — US disclosed
US-20160237421-A9 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2016-08-18 — — US disclosed
US-20140273151-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2014-09-18 — — US disclosed
US-8778627-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2014-07-15 — — US disclosed
US-8586325-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2013-11-19 — — US disclosed
US-20130236888-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2013-09-12 — — US disclosed
US-20120115129-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2012-05-10 — — US disclosed
US-8092784-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2012-01-10 — — US disclosed
US-20090148386-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. 2009-06-11 — — US disclosed
WO-2007100392-A2 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2007-09-07 — — WO disclosed
EP-0050558-A2 Photographic emulsions and elements capable of forming direct-positive images EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-04-28 — — 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 (2 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-20130236888-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS ENGASE, GBA3, HSD17B14 ADRB2 4698/4885MAPT 2600/4885HTT 2193/4885
US-20120115129-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS ENGASE, GBA3, HSD17B14 ADRB2 4698/4885MAPT 2600/4885HTT 2193/4885

“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.

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