SCHEMBL21990971

SCHEMBL21990971

CC(=O)c1cc(C#N)cc(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
ALDH1A1 P00352 6/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
VCP P55072 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL951068 0.86 KDM4E (0.59) KDM4ETTRALBMEN1KMT2A
SCHEMBL19125812 0.86 KDM4E (0.42) KDM4ETTRALBALDH1A1
SCHEMBL29669953 0.86 KDM4E (0.59) KDM4ETTRALBMEN1KMT2A
SCHEMBL31432230 0.86 KDM4E (0.42) KDM4ETTRALBALDH1A1
Ethane SCHEMBL28184948 0.84 KDM4E (0.58) KDM4EMEN1KMT2AHTTGPR35
SCHEMBL25300437 0.81 KDM4E (0.39) KDM4ETTRALBALDH1A1MAPT
SCHEMBL635493 0.81 KDM4E (0.39) KDM4EALDH1A1VCPLRRK2HPGD
SCHEMBL28629899 0.81 KDM4E (0.39) KDM4ETTRALBALDH1A1MAPT
SCHEMBL14645844 0.81 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1GAATSHR
SCHEMBL14976934 0.80 KDM4E (0.38) KDM4ETTRALBALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339844-A1 A PROCESS FOR THE SYNTHESIS OF ANTHRANILIC ACID/AMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2023-10-26 US disclosed
EP-4214188-A1 A PROCESS FOR THE SYNTHESIS OF ANTHRANILIC ACID/AMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI Industries Ltd. (IN) 2023-07-26 EP disclosed
WO-2022058916-A1 A PROCESS FOR THE SYNTHESIS OF ANTHRANILIC ACID/AMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LIMITED (IN) 2022-03-24 WO disclosed
EP-3148962-B1 PROCESS TO PREPARE 3-METHYL-2-NITROBENZOIC ACID BY AIR OXIDATION FMC AGRO SINGAPORE PTE LTD (SG) 2020-05-13 EP disclosed
CN-101945861-A A kind of preparation method of benzamide compound SINOCHEM CORP 2011-01-12 CN 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-20230339844-A1 A PROCESS FOR THE SYNTHESIS OF ANTHRANILIC ACID/AMIDE COMPOUNDS AND INTERMEDIATES THEREOF ASS1, ACMSD, ADCY10 KDM4E 1607/4885SMN1; SMN2 4748/4885L3MBTL1 4546/4885

“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.