SCHEMBL2462511

SCHEMBL2462511

COc1cccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.67
▸ APAF1 O14727 8/20 0.67
▸ ALDH1A1 P00352 8/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ HTT P42858 6/20 0.67
▸ MEN1 O00255 6/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ L3MBTL1 Q9Y468 6/20 0.67
▸ RAB9A P51151 5/20 0.67
▸ GAA P10253 4/20 0.67
▸ NSD2 O96028 3/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ POLB P06746 6/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ LMNA P02545 3/20 0.66
▸ MITF O75030 2/20 0.66
▸ KLF5 Q13887 1/20 0.66
▸ MAPK1 P28482 4/20 0.65
▸ PTBP1 P26599 1/20 0.65
▸ CDC25A P30304 1/20 0.60

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
SCHEMBL2462507 0.99 APAF1 (0.69) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL2463229 0.90 MAPT (0.66) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL12333471 0.88 MAPT (0.67) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL7243360 0.86 APAF1 (0.72) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL16297222 0.85 APAF1 (0.74) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL2464285 0.84 APAF1 (0.72) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL7247555 0.82 APAF1 (0.66) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL7247303 0.81 MAPT (0.97) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL16297270 0.81 MAPT (0.71) MAPTAPAF1ALDH1A1SMN1; SMN2HTT
SCHEMBL2462638 0.81 MAPT (0.71) MAPTAPAF1ALDH1A1SMN1; SMN2HTT

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 10 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
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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