SCHEMBL4879871

SCHEMBL4879871

c1ccc(-c2cnc(-c3cccs3)o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.75
RAB9A P51151 10/20 0.75
HPGD P15428 10/20 0.75
NPC1 O15118 8/20 0.75
KDM4E B2RXH2 8/20 0.75
SMN1; SMN2 Q16637 6/20 0.75
HSD17B10 Q99714 5/20 0.75
CYP2C9 P11712 4/20 0.75
CYP1A2 P05177 3/20 0.75
CYP2C19 P33261 3/20 0.75
TSHR P16473 2/20 0.75
CASP3 P42574 2/20 0.75
SENP8 Q96LD8 2/20 0.75
SENP7 Q9BQF6 2/20 0.75
SENP6 Q9GZR1 2/20 0.75
CYP2D6 P10635 2/20 0.75
MAPT P10636 2/20 0.75
TDP1 Q9NUW8 1/20 0.75
ALOX15 P16050 1/20 0.61
CASP1 P29466 1/20 0.61

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
SCHEMBL10715396 0.97 RAB9A (0.76) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL10626253 0.86 ALDH1A1 (0.69) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL3249622 0.86 RAB9A (1.00) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL10714331 0.86 KDM4E (0.74) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL3247178 0.86 RAB9A (1.00) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL10716764 0.82 KDM4E (0.68) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL13930933 0.78 RAB9A (0.63) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL13930925 0.78 ALDH1A1 (0.62) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL74359 0.78 ALOX15 (0.96) ALDH1A1RAB9AHPGDNPC1KDM4E
SCHEMBL10716443 0.77 MAPT (0.62) ALDH1A1RAB9AHPGDNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
US-10827753-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2020-11-10 US disclosed
US-20190343120-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-11-14 US disclosed
US-20190327967-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-10-31 US disclosed
US-10375958-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2019-08-13 US disclosed
US-20190021325-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-01-24 US disclosed
CN-105658638-B compounds with insecticidal activity 拜耳作物科学股份公司 2018-07-06 CN disclosed
CN-105578885-B Imidazo thiophene (two) azoles sulfonamide as nematicide 拜耳作物科学股份公司 2018-06-26 CN disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-20170367338-A1 COMPOSITIONS AND METHODS FOR IMPROVING AGRONOMIC CHARACTERISTICS OF PLANTS MONSANTO TECHNOLOGY LLC (US) 2017-12-28 US disclosed
US-7741348-B2 Bisheterocycle tandem compounds useful as antiviral agents, the uses thereof and the compositions comprising such compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-06-22 US disclosed
US-7741348-B2 Bisheterocycle tandem compounds useful as antiviral agents, the uses thereof and the compositions comprising such compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-06-22 US disclosed
WO-2009023721-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES DIVERGENCE, INC. (US) 2009-02-19 WO disclosed
US-20090048311-A1 Compostions and Methods for Controlling Nematodes MONSANTO TECHNOLOGY LLC 2009-02-19 US disclosed
US-20090048311-A1 Compostions and Methods for Controlling Nematodes MONSANTO TECHNOLOGY LLC 2009-02-19 US disclosed
US-20080306121-A1 Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-12-11 US disclosed
US-20080306121-A1 Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-12-11 US disclosed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO disclosed
WO-1987006429-A1 PHOTOACTIVE AZOLE PESTICIDES FMC CORPORATION (US) 1987-11-05 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 (9 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-10827753-B2 Compositions and methods for controlling nematodes NOP2, ATL3, CYCS ALDH1A1 3430/4885RAB9A 3412/4885HPGD 1205/4885
US-20190021325-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS ALDH1A1 3430/4885RAB9A 3412/4885HPGD 1205/4885
US-20080306121-A1 Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds PCNA, HAVCR2, HCCS ALDH1A1 3394/4885RAB9A 2448/4885HPGD 577/4885
US-20190343120-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS ALDH1A1 3430/4885RAB9A 3412/4885HPGD 1205/4885
US-20170367338-A1 COMPOSITIONS AND METHODS FOR IMPROVING AGRONOMIC CHARACTERISTICS OF PLANTS CYP51A1, MT-CO3, ACOX3 ALDH1A1 1344/4885RAB9A 3594/4885HPGD 1340/4885
US-20090048311-A1 Compostions and Methods for Controlling Nematodes NOP2, MT-CO3, CLPX ALDH1A1 2842/4885RAB9A 4578/4885HPGD 1350/4885
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ALDH1A1 404/4885RAB9A 3960/4885HPGD 671/4885
US-10375958-B2 Compositions and methods for controlling nematodes NOP2, ATL3, CYCS ALDH1A1 3430/4885RAB9A 3412/4885HPGD 1205/4885
US-20190327967-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS ALDH1A1 3430/4885RAB9A 3412/4885HPGD 1205/4885

“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.