SCHEMBL23975133

SCHEMBL23975133

O=C1N(c2ccccc2)C(c2cccc(F)c2)C1(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.61
GFER P55789 1/20 0.56
HSD11B1 P28845 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PGR P06401 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23975119 0.72 POLB (0.70) POLBSMN1; SMN2GFERHSD11B1KMT2A
SCHEMBL22691653 0.70 GFER (0.76) POLBGFERKMT2AHTR7ALDH1A1
SCHEMBL30103768 0.69 ESR1 (0.61) POLBSMN1; SMN2GFERHSD11B1MAPT
SCHEMBL22691615 0.69 GFER (0.56) POLBGFERKMT2AMEN1MAPT
SCHEMBL31409153 0.66 GFER (0.50) GFERKMT2AMEN1MAPTHTR7
SCHEMBL28659025 0.66 ESR1 (0.69) POLBSMN1; SMN2HSD11B1KMT2AMEN1
SCHEMBL28648417 0.65 ESR1 (0.74) POLBSMN1; SMN2HSD11B1KMT2AMEN1
SCHEMBL22691883 0.64 GFER (0.64) POLBGFERKMT2AMAPTHTR7
SCHEMBL22691888 0.63 GFER (0.47) POLBGFERHSD11B1KMT2AMEN1
SCHEMBL22691868 0.63 GFER (0.50) POLBGFERHSD11B1KMT2AMEN1

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-20210338680-A1 METHODS RELATED TO OPIOID THERAPEUTICS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-04 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-20210338680-A1 METHODS RELATED TO OPIOID THERAPEUTICS OPRL1, OPRK1, GPR139 POLB 4642/4885SMN1; SMN2 2889/4885GFER 2415/4885

“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.