SCHEMBL2459615

SCHEMBL2459615

CCN(CC)c1ccc(NC(=S)NCC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 9/20 0.60
MAPT P10636 8/20 0.60
GAA P10253 5/20 0.60
MAPK1 P28482 4/20 0.60
KDM4E B2RXH2 2/20 0.60
HTT P42858 2/20 0.60
THRB P10828 1/20 0.60
LMNA P02545 4/20 0.57
ALOX12 P18054 3/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.49
MEN1 O00255 3/20 0.47
KCNH2 Q12809 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL14386204 0.83 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPTGAAMAPK1
SCHEMBL14385661 0.79 GAA (0.62) SMN1; SMN2ALDH1A1MAPTGAAMAPK1
SCHEMBL5450124 0.78 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1MAPTGAALMNA
SCHEMBL20529687 0.75 GAA (0.61) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL20529688 0.75 GAA (0.61) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL2467293 0.74 MEN1 (0.66) SMN1; SMN2ALDH1A1MAPTGAAMAPK1
SCHEMBL10789304 0.72 LMNA (0.63) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL2465955 0.72 MAPT (0.78) SMN1; SMN2ALDH1A1MAPTGAAMAPK1
SCHEMBL9725087 0.71 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTGAAMAPK1
SCHEMBL14386119 0.70 GAA (0.69) SMN1; SMN2ALDH1A1MAPTGAAMAPK1

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 SMN1; SMN2 370/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 SMN1; SMN2 370/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 SMN1; SMN2 370/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 SMN1; SMN2 370/4885ALDH1A1 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.