SCHEMBL21392026

SCHEMBL21392026

O=C(O)NCc1c[nH]c2cccc(-c3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.46
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
DNMT1 P26358 1/20 0.43
RECQL P46063 1/20 0.43
CASP6 P55212 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDK4 P11802 5/20 0.43
CCND1 P24385 5/20 0.43
CNR2 P34972 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL18509792 0.79 PTGER1 (0.51) GOT1GAAMEN1KMT2AKDM4E
SCHEMBL5956568 0.78 ALDH1A1 (0.48) GOT1GAAMEN1KMT2AKDM4E
SCHEMBL21392080 0.78 CHRNB2 (0.47) GOT1CDK4CCND1CNR2CHRNB2
SCHEMBL18029328 0.76 KMT2A (0.63) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL18029000 0.76 KMT2A (0.63) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5883325 0.75 KMT2A (0.55) KMT2AKDM4EALDH1A1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5883683 0.74 KMT2A (0.53) KMT2AKDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL2534031 0.74 HTR2A (0.62) PLK4MAPK9LIMK1CLK4AKT3
Hydrochloric Acid SCHEMBL2537754 0.72 HTR2A (0.60) MAPTPLK4MAPK9LIMK1CLK4
SCHEMBL27885588 0.71 HTR2A (0.60) GAAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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 (2 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 GOT1 718/4885GAA 1343/4885MEN1 4390/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GOT1 718/4885GAA 1343/4885MEN1 4390/4885

“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.