SCHEMBL1458933

SCHEMBL1458933

CCCCCc1nonc1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
KMT2A Q03164 2/20 0.35
TLR8 Q9NR97 4/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7160283 0.84 MEN1 (0.38) DHFRALDH1A1KMT2AMEN1KDM4E
SCHEMBL91392 0.75
SCHEMBL31693622 0.72 CA12 (0.40) ALDH1A1KMT2ATLR8MEN1HTT
SCHEMBL6755475 0.71 DHFR (0.45) DHFRALDH1A1TLR7KMT2ATLR8
SCHEMBL19901535 0.70 HRH3 (0.32) TLR7TLR8
SCHEMBL17514350 0.68 MLYCD (0.40) DHFRALDH1A1TLR7KMT2ATLR8
SCHEMBL16516215 0.67 MLYCD (0.39) DHFRALDH1A1TLR7KMT2AMEN1
SCHEMBL6753235 0.67 TLR7 (0.46) DHFRALDH1A1TLR7KMT2ATLR8
SCHEMBL1025561 0.65 DHFR (0.47) DHFRALDH1A1TLR7KMT2ATLR8
SCHEMBL2364943 0.65 DHFR (0.47) DHFRALDH1A1TLR7KMT2ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316734-B1 FURAZANYL UREAS BAYER AG (DE) 1991-07-03 EP claimed
EP-0316734-A2 Furazanyl ureas BAYER AG (DE) 1989-05-24 EP claimed
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
US-10785979-B2 Substituted ketoxime benzoylamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-09-29 US disclosed
EP-3341363-B1 SUBSTITUTED KETOXIME BENZOYLAMIDE BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed
US-20180235224-A1 SUBSTITUTED KETOXIME BENZOYLAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-08-23 US disclosed
EP-3341363-A1 SUBSTITUTED KETOXIME BENZOYLAMIDES Bayer CropScience Aktiengesellschaft (DE) 2018-07-04 EP disclosed
WO-2017032728-A1 SUBSTITUTED KETOXIME BENZOYLAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-02 WO disclosed
EP-2817297-B1 HERBICIDALLY ACTIVE 3-(SULFINYLAMINO)-BENZAMIDES BAYER IP GMBH (DE) 2016-02-17 EP disclosed
US-9198425-B2 Herbicidally-effective sulfinyl aminobenzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-9167819-B2 Herbicidal 3-(sulfin-/sulfonimidoyl)-benzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-8288316-B2 N-(1,2,5-oxadiazol-3-yl)benzamides and their use as herbicides BAYER CROPSCIENCE AG (DE) 2012-10-16 US disclosed
WO-2012123416-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-09-20 WO disclosed
WO-2012123409-A1 N-(1,2,5-OXADIAZOL-3-YL)-, N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)BICYCLOARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-09-20 WO disclosed
EP-2480539-A1 N-(1,2,5-OXADIAZOL-3-YL) BENZAMIDES AND THE USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2012-08-01 EP disclosed
US-20110152084-A1 N-(1,2,5-OXADIAZOL-3-YL)BENZAMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011035874-A1 N-(1,2,5-OXADIAZOL-3-YL) BENZAMIDES AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-03-31 WO disclosed
EP-0316734-B1 FURAZANYL UREAS BAYER AG (DE) 1991-07-03 EP disclosed
US-4886823-A Furazanylurea acaricides BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
EP-0316734-A2 Furazanyl ureas BAYER AG (DE) 1989-05-24 EP 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 (3 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-10785979-B2 Substituted ketoxime benzoylamides KYAT3, KMO, OXA1L DHFR 370/4885ALDH1A1 591/4885TLR7 3754/4885
US-20180235224-A1 SUBSTITUTED KETOXIME BENZOYLAMIDES KYAT3, KMO, OXA1L DHFR 370/4885ALDH1A1 591/4885TLR7 3754/4885
US-20110152084-A1 N-(1,2,5-OXADIAZOL-3-YL)BENZAMIDES AND THEIR USE AS HERBICIDES AOX1, CBR3, ZYX DHFR 534/4885ALDH1A1 109/4885TLR7 4531/4885

“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.