SCHEMBL10033643

SCHEMBL10033643

CN(C)C(=O)c1ccc(NC(=N)SCCCSC(=N)Nc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
FLT3 P36888 1/20 0.42
NPY2R P49146 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL14997857 0.85 MAPT (0.58) ALDH1A1NPSR1HDAC6HDAC3HDAC4
SCHEMBL10033640 0.83 MEN1 (0.57) ALDH1A1HTTL3MBTL1HPGDMAPT
SCHEMBL10033649 0.82 ALDH1A1 (0.46) ALDH1A1NPSR1L3MBTL1MAPTKMT2A
SCHEMBL10033639 0.82 NAPRT (0.58) ALDH1A1NPSR1HTTL3MBTL1HDAC6
SCHEMBL10033645 0.81 ALDH1A1 (0.50) ALDH1A1NPSR1L3MBTL1HDAC6HDAC3
SCHEMBL10033637 0.81 MAPT (0.47) ALDH1A1NPSR1L3MBTL1HDAC6HDAC3
SCHEMBL10033646 0.77 RORC (0.50) ALDH1A1NPSR1HTTKMT2ALMNA
SCHEMBL14997856 0.76 PTGS2 (0.48) ALDH1A1NPSR1HDAC6HDAC3HDAC4
SCHEMBL10033647 0.75 NPSR1 (0.43) ALDH1A1NPSR1HDAC6HDAC3HDAC4
SCHEMBL9479734 0.73 MAPK13 (0.60) RXFP1ALDH1A1HTTL3MBTL1HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
WO-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 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 (1 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-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS NAT10, RNGTT, NSUN2 RXFP1 3786/4885ALDH1A1 1165/4885NPSR1 2283/4885

“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.