SCHEMBL3331870

SCHEMBL3331870

S=C(S)Nc1cnccn1.[N-]=[N+]=NNC(=S)S[Mo](=O)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 4/20 0.32
TSHR P16473 1/20 0.31
CTH P32929 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL4740932 0.75 KMT2A (0.46) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL4444041 0.75
SCHEMBL3337245 0.69
SCHEMBL8862628 0.65 RAB9A (0.43) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL3337233 0.64
SCHEMBL25097159 0.62 KMT2A (0.54) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL8862850 0.62 CTH (0.50) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL1889092 0.59 BAZ2B (0.50) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL4501507 0.59 KMT2A (0.46) RAB9ANPC1TP53MAPTNFKB1
SCHEMBL5381046 0.58 KDM4E (0.69) RAB9ANPC1MAPTSMN1; SMN2KMT2A

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
EP-2125762-B1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INT RESEARCH (NL) 2013-12-11 EP disclosed
US-8188017-B2 Organic molybdenum compounds and oil compositions containing the same SHELL OIL COMPANY (US) 2012-05-29 US disclosed
US-20100144568-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL OIL COMPANY 2010-06-10 US disclosed
EP-2125762-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
WO-2008092944-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 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-20100144568-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME F12, C5, C9 RAB9A 4669/4885NPC1 1493/4885TP53 2688/4885

“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.