SCHEMBL23023007

SCHEMBL23023007

NCc1cccc(CNCCC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.54
SIGMAR1 Q99720 1/20 0.54
PRMT6 Q96LA8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
BCHE P06276 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CXCL12 P48061 1/20 0.38

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
SCHEMBL23023197 0.85 CXCR4 (0.54) CXCR4SIGMAR1BCHENPC1RAB9A
SCHEMBL23022989 0.85 SIGMAR1 (0.54) CXCR4SIGMAR1BCHENPC1RAB9A
SCHEMBL23022836 0.85 CXCR4 (0.54) CXCR4SIGMAR1BCHENPC1RAB9A
SCHEMBL23004820 0.85 CXCR4 (0.54) CXCR4SIGMAR1PRMT6
SCHEMBL21799674 0.85 CXCR4 (0.49) CXCR4SIGMAR1PRMT6HRH3NPC1
SCHEMBL23023005 0.82 SIGMAR1 (0.54) CXCR4SIGMAR1BCHENPC1RAB9A
SCHEMBL23023006 0.82 SIGMAR1 (0.54) CXCR4SIGMAR1NPC1
SCHEMBL23023184 0.82 CHRM2 (0.58) CXCR4SIGMAR1NPC1RAB9A
SCHEMBL23023009 0.82 SIGMAR1 (0.54) CXCR4SIGMAR1
SCHEMBL23023029 0.81 SIGMAR1 (0.77) SIGMAR1NPC1RAB9A

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 CXCR4 4760/4885SIGMAR1 2321/4885PRMT6 616/4885

“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.