SCHEMBL10033649

SCHEMBL10033649

N=C(Nc1ccccc1)SCCCSC(=N)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PLAU P00749 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
F2 P00734 2/20 0.43
PLG P00747 2/20 0.43
KLKB1 P03952 2/20 0.43
PRSS1 P07477 2/20 0.43
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43
MAPT P10636 1/20 0.42

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 0.86 MAPT (0.58) ALDH1A1NPSR1KMT2ASMN1; SMN2KDM4E
SCHEMBL10033645 0.84 ALDH1A1 (0.50) ALDH1A1NPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL10033647 0.83 NPSR1 (0.43) ALDH1A1NPSR1KMT2ASMN1; SMN2KDM4E
SCHEMBL10033640 0.83 MEN1 (0.57) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL10033639 0.82 NAPRT (0.58) ALDH1A1NPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL10033643 0.82 RXFP1 (0.48) ALDH1A1NPSR1KMT2ASMN1; SMN2NPC1
SCHEMBL10033646 0.80 RORC (0.50) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL10033641 0.79 CA1 (0.57) ALDH1A1KMT2AMEN1
SCHEMBL14997856 0.76 PTGS2 (0.48) ALDH1A1NPSR1
SCHEMBL10033637 0.75 MAPT (0.47) ALDH1A1NPSR1KMT2ASMN1; SMN2KDM4E

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 ALDH1A1 1165/4885NPSR1 2283/4885KMT2A 382/4885

“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.