SCHEMBL13975772

SCHEMBL13975772

CCCCNCc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.61
▸ SLC6A4 P31645 1/20 0.61
▸ SCN8A Q9UQD0 1/20 0.59
▸ ACHE P22303 4/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CA2 P00918 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ CA1 P00915 1/20 0.47

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
SCHEMBL20354426 0.93 MEN1 (0.59) MPOSLC6A4SCN8AACHEMEN1
SCHEMBL21674321 0.89 MPO (0.59) MPOSLC6A4SCN8AACHEMEN1
SCHEMBL14399068 0.83 MPO (0.63) MPOSLC6A4SCN8AACHEHPGD
SCHEMBL7245746 0.82 MPO (0.62) MPOSLC6A4SCN8AACHEHPGD
Formic Acid SCHEMBL6319998 0.81 MPO (0.55) MPOSLC6A4SCN8AACHEMEN1
SCHEMBL631227 0.80 MPO (0.58) MPOSLC6A4SCN8AMEN1KMT2A
SCHEMBL6071681 0.80 MPO (0.60) MPOSLC6A4SCN8AMEN1KMT2A
SCHEMBL9784389 0.79 CHRM2 (0.72) MEN1KMT2ASMN1; SMN2HPGDCHRM2
SCHEMBL5013296 0.79 CHRM2 (0.76) SCN8AACHECHRM2CA2CA12
SCHEMBL13975424 0.79 ACHE (0.52) MPOSLC6A4ACHEMEN1KMT2A

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MPO 1664/4885SLC6A4 1439/4885SCN8A 4528/4885

“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.

Send feedback