SCHEMBL14908442

SCHEMBL14908442

C#CCN(C(=O)CCSC)n1cc(-c2cccnc2)nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.35
CYP3A4 P08684 3/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
PDE10A Q9Y233 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DCTPP1 Q9H773 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL6125046 0.88 CYP2C19 (0.40) CYP2A6CYP3A4CYP11B1CYP11B2CYP2C19
SCHEMBL16107648 0.85 CYP3A4 (0.34) CYP2A6CYP3A4CYP2C19CYP1A2PDE10A
SCHEMBL14895765 0.84 KMT2A (0.38) CYP2A6CYP3A4CYP11B1CYP11B2CYP2C19
SCHEMBL6125049 0.83 VCP (0.35) CYP2A6CYP3A4CYP11B1CYP11B2CYP2C19
SCHEMBL6125038 0.83 CYP2A6 (0.39) CYP2A6CYP3A4CYP11B1CYP11B2CYP2C19
SCHEMBL14908418 0.79 HTT (0.35) CYP2A6CYP3A4CYP2C19PDE10ADCTPP1
SCHEMBL6125047 0.75 TLR8 (0.46) CYP2A6CYP3A4CYP2C19CYP1A2DCTPP1
SCHEMBL6025449 0.73 CYP2A6 (0.46) CYP2A6CYP3A4CYP11B1CYP11B2CYP2C19
SCHEMBL2689848 0.73 CYP2A6 (0.46) CYP2A6CYP3A4CYP11B1CYP11B2CYP2C19
SCHEMBL6125057 0.73 CYP2A6 (0.39) CYP2A6CYP3A4CYP11B1CYP11B2CYP2C19

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
EP-2901858-A1 Pesticidal compositions and processes related thereto Dow AgroSciences LLC (US) 2015-08-05 EP disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
WO-2013062980-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 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-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT CYP2A6 296/4885CYP3A4 91/4885CYP11B1 33/4885

“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.