SCHEMBL2459977

SCHEMBL2459977

Cc1cc(Br)cc2c1N(Cc1ccccc1)C(=O)C2=O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.80
MAPT P10636 4/20 0.80
PARK7 Q99497 4/20 0.64
ALDH1A1 P00352 7/20 0.60
ALDH2 P05091 7/20 0.60
ALDH3A1 P30838 7/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CASP3 P42574 1/20 0.51
CHRM5 P08912 2/20 0.51
CHRM1 P11229 2/20 0.50
CES1 P23141 1/20 0.50
ACHE P22303 2/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL4736331 0.86 PARK7 (0.75) TP53MAPTPARK7ALDH1A1ALDH2
SCHEMBL28070671 0.81 TP53 (0.76) TP53MAPTPARK7ALDH1A1ALDH2
SCHEMBL4734658 0.78 PARK7 (0.72) TP53MAPTPARK7ALDH1A1ALDH2
SCHEMBL4736390 0.78 PARK7 (1.00) TP53MAPTPARK7ALDH1A1ALDH2
SCHEMBL27881830 0.77 ALDH1A1 (0.64) PARK7ALDH1A1ALDH2ALDH3A1CASP3
SCHEMBL4739092 0.75 PARK7 (0.82) TP53MAPTPARK7ALDH1A1ALDH2
SCHEMBL30774299 0.75 PARK7 (0.82) TP53MAPTPARK7ALDH1A1ALDH2
SCHEMBL5659265 0.75 ALDH1A1 (1.00) ALDH1A1ALDH2ALDH3A1CASP3CHRM5
SCHEMBL20874420 0.75 PARK7 (0.80) TP53MAPTPARK7ALDH1A1ALDH2
SCHEMBL19297704 0.73 ALDH1A1 (0.62) TP53MAPTPARK7ALDH1A1ALDH2

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 TP53 662/4885MAPT 3443/4885PARK7 1455/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 TP53 662/4885MAPT 3443/4885PARK7 1455/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 TP53 662/4885MAPT 3443/4885PARK7 1455/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 TP53 662/4885MAPT 3443/4885PARK7 1455/4885

“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.