SCHEMBL3687904

SCHEMBL3687904

NC(=O)SCCSC(N)=O.[Mn]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.42
HRH4 Q9H3N8 2/20 0.42
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
THPO P40225 2/20 0.33
OR51E2 Q9H255 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL9085970 0.96 CYP1A2 (0.44) CYP1A2HRH4TDP1LMNACYP2C19
SCHEMBL4448372 0.93 CYP1A2 (0.42) CYP1A2HRH4TDP1LMNACYP2C19
SCHEMBL9619002 0.93 CYP1A2 (0.42) CYP1A2HRH4TDP1LMNACYP2C19
SCHEMBL3697213 0.93 CYP1A2 (0.42) CYP1A2HRH4TDP1LMNACYP2C19
Chloroform SCHEMBL9395259 0.84 TDP1 (0.41) CYP1A2HRH4TDP1ALDH1A1TSHR
SCHEMBL2745916 0.83 TDP1 (0.39) CYP1A2HRH4TDP1LMNACYP2C19
SCHEMBL2746574 0.83 TDP1 (0.39) CYP1A2HRH4TDP1LMNACYP2C19
SCHEMBL8938892 0.80 TDP1 (0.37) CYP1A2HRH4TDP1CYP2C19ALDH1A1
SCHEMBL11649486 0.80
SCHEMBL2753807 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916613-B2 Synergistic insecticidal mixtures BAYER CROPSCIENCE AG (DE) 2014-12-23 US disclosed
US-20140243326-A1 Synergistic Insecticidal Mixtures BAYER CROPSCIENCE AG (DE) 2014-08-28 US disclosed
US-20100197747-A1 Synergistic Insecticidal Mixtures BAYER CROPSCIENCE AG (DE) 2010-08-05 US disclosed
US-20080280953-A1 Agents Used for the Treatment of Seeds BAYER CROPSCIENCE AG (DE) 2008-11-13 US disclosed
US-20070155797-A1 Comprising thiodicarb and a chloronicotinyl; controlling animal pests BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-07-05 US disclosed
US-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect BAYER CROPSCIENCE AG (DE) 2006-06-15 US 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 (5 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-20080280953-A1 Agents Used for the Treatment of Seeds TUBB3, TUBB, GUSB CYP1A2 4296/4885HRH4 1868/4885TDP1 3242/4885
US-20070155797-A1 Comprising thiodicarb and a chloronicotinyl; controlling animal pests DDT, TBCB, L3MBTL4 CYP1A2 876/4885HRH4 3519/4885TDP1 1812/4885
US-20140243326-A1 Synergistic Insecticidal Mixtures DDT, TBCB, PITPNB CYP1A2 1096/4885HRH4 2413/4885TDP1 2339/4885
US-20100197747-A1 Synergistic Insecticidal Mixtures DDT, TBCB, PITPNB CYP1A2 1096/4885HRH4 2413/4885TDP1 2339/4885
US-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect DDT, ACHE, RDX CYP1A2 148/4885HRH4 191/4885TDP1 787/4885

“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.