SCHEMBL10033640

SCHEMBL10033640

COC(=O)c1ccc(NC(=N)SCCCSC(=N)Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 4/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 2/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.48
AGTR1 P30556 1/20 0.48
TSHR P16473 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
SCHEMBL14997857 0.86 MAPT (0.58) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL10033649 0.83 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL10033639 0.83 NAPRT (0.58) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL10033643 0.83 RXFP1 (0.48) KMT2ASMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL10033645 0.82 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL10033644 0.80 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL10033642 0.78 TRPV1 (0.41) SMN1; SMN2POLBRAB9AALDH1A1MAPT
SCHEMBL10033646 0.78 RORC (0.50) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL27680037 0.78 MEN1 (0.61) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL14997856 0.77 PTGS2 (0.48) ALDH1A1CA1CA2

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 MEN1 3935/4885KMT2A 382/4885SMN1; SMN2 2334/4885

“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.