SCHEMBL7564162

SCHEMBL7564162

C1=COC(NCc2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
FUCA1 P04066 2/20 0.37
IDO1 P14902 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
FYN P06241 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1B P35368 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1789526 0.72 ACHE (0.37) GRIN2BKDM1AMAOAFUCA1IDO1
SCHEMBL28651661 0.72 NFKB1 (0.34) IDO1TDP1CYP3A4HSD17B10
SCHEMBL28473531 0.69
SCHEMBL27537953 0.69
SCHEMBL6129603 0.68 GBA1 (0.33) TDP1SLC6A3HSD17B10
SCHEMBL20863084 0.66 HRH2 (0.47) GRIN2BKDM1AMAOAFUCA1IDO1
SCHEMBL29940611 0.64 GRIN2B (0.42) GRIN2BKDM1AMAOAFUCA1IDO1
SCHEMBL21518380 0.63 GRIN2B (0.38) GRIN2BKDM1AMAOAFUCA1IDO1
SCHEMBL663239 0.62 GRIN2B (0.74) GRIN2BMEN1KMT2ABCHEACHE
SCHEMBL25069529 0.62 FUCA1 (0.72) GRIN2BKDM1AMAOAFUCA1HRH2

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
US-20200323206-A1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS CLARIANT INTERNATIONAL LTD. (CH) 2020-10-15 US claimed
EP-3468363-B1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS CLARIANT INT LTD (CH) 2020-03-04 EP claimed
EP-3468363-A1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS Clariant International Ltd (CH) 2019-04-17 EP claimed
WO-2017211572-A1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS CLARIANT INTERNATIONAL LTD (CH) 2017-12-14 WO claimed
US-20200323206-A1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS CLARIANT INTERNATIONAL LTD. (CH) 2020-10-15 US disclosed
EP-3468363-B1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS CLARIANT INT LTD (CH) 2020-03-04 EP disclosed
EP-3468363-A1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS Clariant International Ltd (CH) 2019-04-17 EP disclosed
WO-2017211572-A1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS CLARIANT INTERNATIONAL LTD (CH) 2017-12-14 WO disclosed
WO-2002038769-A2 DNA SEQUENCES, WHICH CODE FOR OPTIMISED EUKARYOTIC HPV 16-L1 AND HPV 16-L2 Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2002-05-16 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-20200323206-A1 USE OF N-SUBSTITUTED PYRROLIDONES TO PROMOTE THE PENETRATION OF AGROCHEMICAL ACTIVE AGENTS HMBS, PAH, HPD GRIN2B 1690/4885KDM1A 724/4885MAOA 2116/4885

“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.