SCHEMBL28357147

SCHEMBL28357147

[N-]=[N+]=NNCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APP P05067 1/20 0.41
HTT P42858 1/20 0.39
ALOX12 P18054 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL29023619 0.79 IDO1 (0.40) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL6042735 0.78 IDO1 (0.43) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL11231017 0.74 ACP3 (0.46) IDO1MEN1KMT2ATDP1MAPT
SCHEMBL1616038 0.73 GRIN2D (0.47) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL27820610 0.72 TSHR (0.53) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL1795446 0.71 CYP3A4 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL19069697 0.70 HTT (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL11126521 0.70 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL1793817 0.70 MAPT (0.52) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL21192748 0.70 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089639-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS AG (CH) 2022-03-24 US disclosed
CN-105593238-B Lysine-specific chemoenzymatic protein modification using microbial transglutaminase 诺华股份有限公司 2020-09-08 CN disclosed
CN-110770243-A Rapamycin analogs as MTOR inhibitors 锐新医药公司 2020-02-07 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-20220089639-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 IDO1 804/4885MEN1 2255/4885KMT2A 198/4885

“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.