SCHEMBL23023116

SCHEMBL23023116

c1ccc(CNCCC2CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49

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
SCHEMBL4482137 0.91 KDM1A (0.48) SIGMAR1KDM1AMAOAMAOBMEN1
SCHEMBL23023136 0.90 HTR5A (0.50) SIGMAR1MEN1KMT2ATDP1
SCHEMBL22495345 0.88 SIGMAR1 (0.63) SIGMAR1MAOAMEN1KMT2ATDP1
SCHEMBL10425868 0.84 SIGMAR1 (0.73) SIGMAR1MAOAMEN1KMT2ATDP1
SCHEMBL23022866 0.84 SIGMAR1 (0.69) SIGMAR1MAOAMEN1KMT2ATDP1
SCHEMBL23023029 0.83 SIGMAR1 (0.77) SIGMAR1KDM1AMAOAMAOBMEN1
SCHEMBL21254320 0.83 CXCR4 (0.59)
SCHEMBL23023177 0.83 SIGMAR1 (0.77) SIGMAR1KDM1AMAOAMAOBMEN1
SCHEMBL23023089 0.81 SIGMAR1 (0.54) SIGMAR1MEN1KMT2ATDP1
SCHEMBL26644568 0.80 CHRM2 (0.53) MEN1KMT2ACHRM2CHRM1CHRM3

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 SIGMAR1 2321/4885KDM1A 1628/4885MAOA 1147/4885

“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.