SCHEMBL21392223

SCHEMBL21392223

NCCC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
SOS1 Q07889 4/20 0.47
HTR2A P28223 4/20 0.47
PTPRA P18433 1/20 0.46
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TNF P01375 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MPO P05164 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL21392065 0.86 HTR2A (0.58) GPR84HTR2APTPRAITGB2ICAM1
SCHEMBL21392222 0.82 HTR2A (0.60) HTR2AITGB2ICAM1ITGALKDM4E
SCHEMBL30381542 0.82 KMT2A (0.66) GPR84SOS1HTR2APTPRAITGB2
SCHEMBL17771936 0.82 GPR84 (0.56) GPR84SOS1HTR2APTPRAITGB2
SCHEMBL128685 0.82 KMT2A (0.66) GPR84SOS1HTR2APTPRAITGB2
SCHEMBL29405769 0.82 KMT2A (0.66) GPR84SOS1HTR2APTPRAITGB2
SCHEMBL456668 0.82 KMT2A (0.66) GPR84SOS1HTR2APTPRAITGB2
SCHEMBL18029175 0.82 KMT2A (0.66) GPR84SOS1HTR2APTPRAITGB2
SCHEMBL623336 0.82 KMT2A (0.66) GPR84SOS1HTR2APTPRAITGB2
SCHEMBL24328361 0.81 SMN1; SMN2 (0.67) GPR84SOS1HTR2APTPRAITGB2

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 GPR84 4312/4885SOS1 2978/4885HTR2A 4016/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GPR84 4312/4885SOS1 2978/4885HTR2A 4016/4885

“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.