SCHEMBL21392227

SCHEMBL21392227

O=C(O)CCc1c[nH]c2c(N3CCOCC3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
S1PR1 P21453 2/20 0.44
MPO P05164 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 3/20 0.40

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
SCHEMBL19872653 0.81 GPR17 (0.44) SMN1; SMN2HRH3ALDH1A1MAPTKDM4E
SCHEMBL19871228 0.81 MAPT (0.51) HRH3MPOALDH1A1MAPTKDM4E
SCHEMBL18028976 0.81 MAPT (0.51) HRH3MPOALDH1A1MAPTKDM4E
SCHEMBL23226261 0.77 HRH3 (0.40) SMN1; SMN2HRH3MPOALDH1A1MAPT
SCHEMBL20119872 0.77 EGFR (0.46) SMN1; SMN2MAPTKDM4EHSD17B10USP2
SCHEMBL20119984 0.75 NPC1 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL15322279 0.75 HTT (0.57) SMN1; SMN2HTTS1PR1MPOALDH1A1
SCHEMBL19872652 0.75 ALDH1A1 (0.51) SMN1; SMN2HRH3ALDH1A1MAPTKDM4E
SCHEMBL21396197 0.74 HRH3 (0.39) HRH3ALDH1A1MAPTHPGDUSP2
SCHEMBL20935019 0.74 HPGD (0.56) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD

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 SMN1; SMN2 4392/4885HTT 3686/4885HRH3 3672/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 SMN1; SMN2 4392/4885HTT 3686/4885HRH3 3672/4885

“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.