SCHEMBL2069488

SCHEMBL2069488

COc1ccc(CN(CCN/C(=N/[N+](=O)[O-])SC)Cc2cnc(Cl)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.40
NR1D1 P20393 4/20 0.40
NR1H3 Q13133 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRK1 P41145 2/20 0.36
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
AURKB Q96GD4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
OPRM1 P35372 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL2068841 0.75 RORC (0.37) NR1D1OPRK1MAPTOPRM1CYP3A4
SCHEMBL7840103 0.74 RECQL (0.38) MEN1KMT2AMAPTRECQLL3MBTL1
SCHEMBL7840104 0.74 RECQL (0.38) MEN1KMT2AMAPTRECQLL3MBTL1
SCHEMBL2070412 0.73 MEN1 (0.53) BMP1NR1D1NR1H3MEN1KMT2A
SCHEMBL7839926 0.68 RECQL (0.41) BMP1MEN1KMT2AMAPTRECQL
SCHEMBL2069463 0.67 MEN1 (0.44) BMP1NR1D1NR1H3MEN1KMT2A
SCHEMBL8867137 0.66 MAPT (0.37) BMP1MEN1KMT2AMAPTRECQL
SCHEMBL8867133 0.66 MAPT (0.37) BMP1MEN1KMT2AMAPTRECQL
SCHEMBL8867247 0.65 MAPT (0.36) BMP1MEN1KMT2AMAPTRECQL
SCHEMBL8867255 0.65 MAPT (0.36) BMP1MEN1KMT2AMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977332-B2 Insecticidal N-(heteroarylalkyl)alkanediamine derivatives FMC CORPORATION (US) 2011-07-12 US disclosed
US-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives FMC CORPORATION 2011-03-17 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 (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-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives DDT, RABL6, ACHE BMP1 3274/4885NR1D1 317/4885NR1H3 134/4885

“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.