SCHEMBL22044487

SCHEMBL22044487

Fc1ccc(Br)c(-c2nncnn2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
MET P08581 1/20 0.30
KDR P35968 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
SCHEMBL24334049 0.77 NPC1 (0.33) NPC1
SCHEMBL22044488 0.77 NPC1 (0.56) NPC1
SCHEMBL22043778 0.77 HSD11B1 (0.38) NPC1
SCHEMBL24022842 0.77 NISCH (0.44)
SCHEMBL21994273 0.73 S1PR1 (0.42) NPC1
SCHEMBL9566543 0.72 NPC1 (0.64) NPC1
SCHEMBL2527716 0.70 TRPM8 (0.40) NPC1
SCHEMBL22043776 0.69 MAPT (0.40) KDR
SCHEMBL24819002 0.69 NOTUM (0.53) NPC1
SCHEMBL24333878 0.67 ALOX5AP (0.40)

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-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2022-04-21 US disclosed
WO-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 WO 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-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING RTN3, RXFP3, TAAR5 NPC1 867/4885MET 4682/4885KDR 2282/4885

“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.