SCHEMBL19214853

SCHEMBL19214853

CCC(N)Cn1cccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
TSHR P16473 1/20 0.44
NLRP3 Q96P20 2/20 0.36
NOS1 P29475 5/20 0.35
NOS3 P29474 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20278976 0.82 FDPS (0.50) FDPSTSHRNLRP3NOS1NOS3
Hydrochloric Acid SCHEMBL27122528 0.81 FDPS (0.42) FDPSTSHRNLRP3NOS1NOS3
Hydrochloric Acid SCHEMBL26965373 0.81 FDPS (0.42) FDPSTSHRNLRP3NOS1NOS3
SCHEMBL669126 0.81
SCHEMBL14478268 0.81
Hydrochloric Acid SCHEMBL20263083 0.80 FDPS (0.49) FDPSTSHRNLRP3NOS1NOS3
Hydrochloric Acid SCHEMBL20263081 0.80 FDPS (0.49) FDPSTSHRNLRP3NOS1NOS3
SCHEMBL19214737 0.80 FDPS (0.37) FDPSTSHRNOS1NOS3CA12
Hydrochloric Acid SCHEMBL5473559 0.79 FDPS (0.47) FDPSTSHRNLRP3NOS1NOS3
SCHEMBL20279047 0.78 FDPS (0.40) FDPSTSHRNLRP3NOS1NOS3

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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 FDPS 2964/4885TSHR 3457/4885NLRP3 114/4885

“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.