SCHEMBL10074080

SCHEMBL10074080

COCCNS(=O)(=O)c1sc(-c2cccnc2)nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
KDM4E B2RXH2 6/20 0.46
LMNA P02545 5/20 0.46
CYP2C19 P33261 3/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CCNE2 O96020 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
SCHEMBL12289742 0.82 MAPT (0.46) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL2626890 0.81 MAPT (0.50) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL3472206 0.77 KDM4E (0.48) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL2626881 0.73 CYP3A4 (0.53) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL13048470 0.70 CYP1A2 (0.55) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL11394548 0.69 CYP1A2 (0.79) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL266592 0.68 CYP3A4 (0.61) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL2626892 0.68 CYP1A2 (0.75) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL13048785 0.67 CYP1A2 (0.51) MAPTCYP1A2CYP3A4KDM4ELMNA
SCHEMBL11389733 0.67 CYP1A2 (1.00) MAPTCYP1A2CYP3A4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9339032-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-17 US disclosed
US-20140135346-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-15 US disclosed
US-8664229-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2012-04-19 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 (2 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-20140135346-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, AADAC MAPT 4085/4885CYP1A2 897/4885CYP3A4 920/4885
US-20120095023-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, AADAC MAPT 4085/4885CYP1A2 897/4885CYP3A4 920/4885

“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.