SCHEMBL21392094

SCHEMBL21392094

Cn1cc(CNC(=O)O)c2c(F)cccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CMA1 P23946 4/20 0.41
CTSG P08311 1/20 0.41
P2RX7 Q99572 2/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL20935265 0.84 HTR2A (0.57) KMT2AMEN1CMA1CTSGTP53
SCHEMBL23226317 0.82 CMA1 (0.43) KMT2AMEN1CMA1CTSGTP53
SCHEMBL1093139 0.81 GPR84 (0.42) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL23226413 0.80 CMA1 (0.39) KMT2AMEN1ALDH1A1CMA1CTSG
SCHEMBL23226428 0.79 CMA1 (0.38) KMT2AMEN1ALDH1A1MAPTCMA1
SCHEMBL18509797 0.79 CMA1 (0.47) KMT2AMEN1CMA1CTSGTP53
SCHEMBL18029258 0.76 MAPT (0.48) KMT2AMEN1ALDH1A1MAPTCMA1
SCHEMBL3558621 0.74 P2RX7 (0.51) KMT2AMEN1ALDH1A1MAPTP2RX7
SCHEMBL4002045 0.74 POLB (0.45) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2439783 0.73 POLB (0.47) KMT2AMEN1ALDH1A1MAPTLMNA

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 KMT2A 3004/4885MEN1 4390/4885ALDH1A1 1592/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 KMT2A 3004/4885MEN1 4390/4885ALDH1A1 1592/4885

“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.