SCHEMBL2462948

SCHEMBL2462948

CCCN(CCC)c1cccc2c(C=O)ccc(N(CC)CC)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
ALDH3A1 P30838 5/20 0.42
ALDH1A3 P47895 4/20 0.42
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.37
PLEC Q15149 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.35
CRHR1 P34998 6/20 0.34
GAA P10253 2/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL2466004 1.00 ALDH1A1 (0.42) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL9901513 0.97 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL2465393 0.97 ALDH3A1 (0.44) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL2513355 0.92 KDM4E (0.44) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL2465646 0.92 CRHR1 (0.38) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL9900681 0.92 KDM4E (0.50) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL2466293 0.92 KDM4E (0.50) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL9900639 0.92 ALDH3A1 (0.40) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL9900882 0.89 CRHR1 (0.38) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA
SCHEMBL2464566 0.88 KDM4E (0.39) ALDH1A1ALDH3A1ALDH1A3KDM4ELMNA

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 7 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-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 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH1A3 3020/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH1A3 3020/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH1A3 3020/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH1A3 3020/4885

“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.