SCHEMBL22712641

SCHEMBL22712641

O=[N+]([O-])c1ccc(Oc2cccc3c2C2(CC2)CO3)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.33
TLR8 Q9NR97 2/20 0.32
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
ALDH1A1 P00352 2/20 0.30
GAA P10253 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
SCHEMBL22712642 0.86 MAPT (0.38) MAPTRAB9ASMN1; SMN2POLBTLR8
SCHEMBL18987205 0.81 MAPT (0.37) MAPTRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL31157958 0.80 MPO (0.42)
SCHEMBL31157927 0.79 MEN1 (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL19011644 0.79
SCHEMBL1982056 0.77 HSPB1 (0.48) MAPTRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL30079808 0.77 HSPB1 (0.48) MAPTRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL18987381 0.71 AR (0.34)
SCHEMBL23927078 0.70 HSPB1 (0.48) MAPTRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL19011614 0.70 MAPT (0.36) MAPTRAB9ASMN1; SMN2

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
EP-3390394-B1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2022-05-25 EP disclosed
US-20200377485-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2020-12-03 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-20200377485-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS KCNA3, KCNN3, KCND3 MAPT 3209/4885RAB9A 1408/4885SMN1; SMN2 2612/4885

“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.