SCHEMBL9914899

SCHEMBL9914899

CC1=CC(CCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O)=[N+]2C1=Cc1c(CCCSOOO)cc(-c3ccccc3)n1[B-]2(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.32
C3AR1 Q16581 1/20 0.31

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
SCHEMBL9908196 0.98 HRH1 (0.32) HRH1C3AR1
SCHEMBL13706619 0.91 HRH1 (0.33) HRH1
Hydrochloric Acid SCHEMBL7302838 0.65 F2 (0.50) C3AR1
Alcohol SCHEMBL7302824 0.64 F2 (0.47) C3AR1
SCHEMBL31751570 0.62 C3AR1 (0.43) C3AR1
SCHEMBL1694411 0.61 C3AR1 (0.50) C3AR1
SCHEMBL2750013 0.61 C3AR1 (0.50) C3AR1
SCHEMBL7786368 0.60 FOLH1 (0.49) C3AR1
SCHEMBL7786354 0.60 FOLH1 (0.49) C3AR1
SCHEMBL30139852 0.60 C3AR1 (0.51) C3AR1

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-8197759-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES NATIONAL SCIENCE FOUNDATION 2010-08-12 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 (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-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES ACP1, ANXA5, CHAMP1 HRH1 1691/4885C3AR1 237/4885

“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.