SCHEMBL175535

SCHEMBL175535

NNc1ccccc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
SIRT2 Q8IXJ6 6/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
SIRT1 Q96EB6 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP1 P29466 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL9921482 0.86 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL10424663 0.86 SIRT2 (0.62) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL213832 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL5365142 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDMAPTSIRT2
SCHEMBL687902 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL2685883 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL704708 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL9770758 0.82 KDM4E (0.58) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL15387076 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL28052877 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 US disclosed
US-10406142-B2 Hydrazino 1H-imidazoquinolin-4-amines and conjugates made therefrom 3M LNNOVATIVE PROPERTIES COMPANY (US) 2019-09-10 US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 US disclosed
EP-3366311-A1 HYDRAZINO 1H-IMIDAZOQUINOLIN-4-AMINES AND CONJUGATES MADE THEREFROM 3M Innovative Properties Co. (US) 2018-08-29 EP disclosed
US-20170173164-A1 HYDRAZINO 1H-IMIDAZOQUINOLIN-4-AMINES AND CONJUGATES MADE THEREFROM SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2017-06-22 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-9585968-B2 Hydrazino 1H-imidazoquinolin-4-amines and conjugates made therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-03-07 US disclosed
CN-103228141-B Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-20 CN disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
US-20050095647-A1 Enrichment and tagging of glycosylated proteins AGILENT TECHNOLOGIES, INC. 2005-05-05 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 EP disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed
US-3936444-A FROM A LACTIM-ETHER AND AN ARYL OR HETEROARYL HYDRAZINE, ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US 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 (8 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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KDM4E 4025/4885ALDH1A1 1574/4885HPGD 650/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KDM4E 123/4885ALDH1A1 796/4885HPGD 1023/4885
US-20170173164-A1 HYDRAZINO 1H-IMIDAZOQUINOLIN-4-AMINES AND CONJUGATES MADE THEREFROM IL15, IL2, HNMT KDM4E 1721/4885ALDH1A1 1708/4885HPGD 61/4885
US-10406142-B2 Hydrazino 1H-imidazoquinolin-4-amines and conjugates made therefrom IL15, IL2, HNMT KDM4E 1721/4885ALDH1A1 1708/4885HPGD 61/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 KDM4E 4025/4885ALDH1A1 1574/4885HPGD 650/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KDM4E 123/4885ALDH1A1 796/4885HPGD 1023/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KDM4E 4025/4885ALDH1A1 1574/4885HPGD 650/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KDM4E 4025/4885ALDH1A1 1574/4885HPGD 650/4885

“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.