SCHEMBL2525803

SCHEMBL2525803

O=C1C(Nc2ccc(F)c(F)c2)=C(N2CCOCC2)C(=O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.68
▸ APAF1 O14727 10/20 0.68
▸ ALDH1A1 P00352 8/20 0.68
▸ SMN1; SMN2 Q16637 6/20 0.68
▸ L3MBTL1 Q9Y468 5/20 0.68
▸ POLB P06746 4/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ HPGD P15428 2/20 0.68
▸ GAA P10253 3/20 0.63
▸ CASP3 P42574 1/20 0.63
▸ SENP8 Q96LD8 1/20 0.63
▸ SENP7 Q9BQF6 1/20 0.63
▸ SENP6 Q9GZR1 1/20 0.63
▸ NPC1 O15118 6/20 0.52
▸ HTT P42858 5/20 0.52
▸ LMNA P02545 5/20 0.52
▸ MITF O75030 2/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ RAB9A P51151 4/20 0.51
▸ MAPK1 P28482 4/20 0.51

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
SCHEMBL12333610 0.90 MAPT (0.71) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7246028 0.89 MAPT (0.67) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14777698 0.85 MAPT (0.67) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16297010 0.83 MAPT (0.80) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2464460 0.83 MAPT (0.70) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14777417 0.81 MAPT (0.76) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2463229 0.78 MAPT (0.66) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7240437 0.77 APAF1 (0.51) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14777433 0.75 MAPT (0.79) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12010991 0.75 MAPT (0.71) MAPTAPAF1ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 — — US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — WO 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 (4 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885APAF1 1324/4885ALDH1A1 2506/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885APAF1 1324/4885ALDH1A1 2506/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885APAF1 1324/4885ALDH1A1 2506/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885APAF1 1324/4885ALDH1A1 2506/4885

“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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