SCHEMBL10164756

SCHEMBL10164756

CCON1CCC(C#N)(NC(=O)Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
PTGER4 P35408 1/20 0.39
ANO1 Q5XXA6 3/20 0.39
EPHX2 P34913 2/20 0.39
P2RX7 Q99572 7/20 0.39
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL6764649 0.86 KMT2A (0.46) KMT2ASIGMAR1ANO1P2RX7
SCHEMBL6765934 0.84 KMT2A (0.44) KMT2ASIGMAR1ANO1EPHX2P2RX7
SCHEMBL849486 0.83 EPHX2 (0.46) KMT2ASIGMAR1ANO1EPHX2P2RX7
SCHEMBL10165687 0.82 KMT2A (0.43) KMT2ASIGMAR1PTGER4ANO1EPHX2
SCHEMBL13385942 0.81 ALDH1A1 (0.48) KMT2AANO1EPHX2ALDH1A1
SCHEMBL6766382 0.81 KMT2A (0.41) KMT2ASIGMAR1ANO1EPHX2P2RX7
SCHEMBL10164938 0.80 MAPK8 (0.41) KMT2AP2RX7ALDH1A1
SCHEMBL6766386 0.80 SIGMAR1 (0.44) KMT2ASIGMAR1ANO1EPHX2P2RX7
SCHEMBL13938980 0.79 ANO1 (0.43) KMT2AANO1P2RX7
SCHEMBL247704 0.77 HDAC3 (0.34) P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421865-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-07-10 EP disclosed
EP-2197844-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-07-25 EP disclosed
US-20120035201-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-09 US disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
WO-2010115780-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-10-14 WO disclosed
WO-2009049851-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 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 (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-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES DDT, PKD2, PKD1 KMT2A 3610/4885SIGMAR1 3389/4885PTGER4 2419/4885
US-20120035201-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES DDT, PKD2, PKD1 KMT2A 3726/4885SIGMAR1 1462/4885PTGER4 2885/4885

“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.