SCHEMBL2463104

SCHEMBL2463104

CCc1ccc(C2=CC(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.66
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
APAF1 O14727 1/20 0.50
MITF O75030 1/20 0.50
PTPN1 P18031 5/20 0.49
PTPRC P08575 3/20 0.47
CDC25B P30305 3/20 0.47
PTPRF P10586 2/20 0.47
SOAT1 P35610 3/20 0.46
S100A4 P26447 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL15764225 0.83 BACE1 (0.68) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL28865245 0.83 BACE1 (0.66) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL11048150 0.81 BACE1 (0.72) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL5485068 0.80 BACE1 (1.00) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL29673492 0.80 BACE1 (1.00) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL28121286 0.80 BACE1 (0.60) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL6688709 0.80 BACE1 (0.60) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL25834756 0.79 BACE1 (0.75) BACE1ALDH1A1MAPTLMNAMAPK1
Methylamine SCHEMBL3277347 0.79 BACE1 (0.89) BACE1ALDH1A1MAPTLMNAMAPK1
SCHEMBL31423340 0.77 BACE1 (1.00) BACE1ALDH1A1MAPTLMNAMAPK1

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
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO claimed
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-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
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 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 BACE1 1631/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 BACE1 1631/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 BACE1 1631/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 BACE1 1631/4885ALDH1A1 2506/4885MAPT 3443/4885

“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.