SCHEMBL3212633

SCHEMBL3212633

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc(C#N)cc(NC(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
ESR1 P03372 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL13424940 0.90 BCHE (0.40) MLYCDESR1RXFP1BCHEKDM4E
SCHEMBL1275272 0.82 MLYCD (0.45) MLYCDESR1RXFP1MEN1NPC1
SCHEMBL3213743 0.82 ABCC9 (0.38) MRGPRX4
SCHEMBL13456091 0.82 RXFP1 (0.43) MLYCDESR1RXFP1MEN1NPC1
SCHEMBL11987618 0.81 MRGPRX4 (0.36) BCHENPC1KDM4EMAPTSAE1
SCHEMBL3209175 0.80 RXFP1 (0.46) MLYCDESR1RXFP1MEN1NPC1
SCHEMBL3222728 0.79 RXFP1 (0.41) MLYCDESR1RXFP1MEN1NPC1
SCHEMBL3150926 0.79 RXFP1 (0.54) MLYCDESR1RXFP1MEN1NPC1
SCHEMBL29409944 0.79 RXFP1 (0.54) MLYCDRXFP1MEN1KMT2AKDM4E
SCHEMBL3216351 0.78 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1

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-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
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-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US 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 (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-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 MLYCD 3860/4885ESR1 4047/4885RXFP1 1485/4885

“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.