SCHEMBL3218396

SCHEMBL3218396

COCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(C#N)c(N)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.34
LRRK2 Q5S007 1/20 0.34
S1PR3 Q99500 3/20 0.34
RXFP1 Q9HBX9 1/20 0.33
LCK P06239 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGES O14684 1/20 0.32
CSF1R P07333 1/20 0.32
BRAF P15056 1/20 0.32
TP53 P04637 1/20 0.32
S1PR1 P21453 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
SCHEMBL3224891 0.95 HDAC1 (0.35) HDAC1KDM4EPOLBPKMLRRK2
SCHEMBL3011716 0.88 LCK (0.41) HDAC1PKMS1PR3LCKBRAF
SCHEMBL3217239 0.86 KDM4E (0.35) HDAC1KDM4EPOLBS1PR3LCK
SCHEMBL3213825 0.85 LMNA (0.42) POLBALDH1A1HPGDBRAF
SCHEMBL3224628 0.85 S1PR3 (0.40) KDM4EPOLBS1PR3S1PR1
SCHEMBL3226663 0.85 ALDH1A1 (0.42) HDAC1KDM4EALDH1A1HPGDTP53
SCHEMBL3208889 0.83 KDM4E (0.35) KDM4EPOLBLRRK2S1PR3RXFP1
SCHEMBL3224938 0.83 HDAC1 (0.36) HDAC1PKMS1PR3LCKBRAF
SCHEMBL3701195 0.83 LCK (0.39) HDAC1PKMS1PR3LCKBRAF
SCHEMBL3715668 0.81 PKM (0.41) HDAC1KDM4EPOLBPKMS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed
US-8247594-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-21 US disclosed
US-20100130601-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-27 US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
EP-2120556-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-25 EP disclosed
EP-2114161-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-11 EP disclosed
WO-2008107091-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-09-12 WO disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 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-20100130601-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 HDAC1 353/4885KDM4E 3298/4885POLB 4682/4885
US-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 HDAC1 234/4885KDM4E 2732/4885POLB 4533/4885

“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.