SCHEMBL22461809

SCHEMBL22461809

CC(C)N(CC/N=C(\N)n1cccn1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.63
FBP1 P09467 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL19899761 0.78 NOS1 (1.00) NOS1FBP1
Hydrochloric Acid SCHEMBL6510363 0.74 NOS1 (0.97) NOS1
Hydrochloric Acid SCHEMBL6504407 0.73 NOS1 (0.97) NOS1
Hydrochloric Acid SCHEMBL20480852 0.69 NOS1 (0.60) NOS1FBP1
SCHEMBL13646586 0.68
SCHEMBL7499635 0.67 NOS1 (0.58) NOS1
SCHEMBL19545548 0.66
SCHEMBL5391387 0.66
Nitric Acid SCHEMBL9192650 0.66 NOS1 (0.60) NOS1
SCHEMBL18934482 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299417-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS UNITED STATES GOVERNMENT 2020-09-24 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-20200299417-A1 CHITOSAN-DERIVATIVE COMPOUNDS AND METHODS OF CONTROLLING MICROBIAL POPULATIONS ARG1, NRDC, CHIA NOS1 83/4885FBP1 2864/4885TSHR 3454/4885

“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.