SCHEMBL23701323

SCHEMBL23701323

COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)nc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
NR1H2 P55055 1/20 0.53
TMPRSS2 O15393 1/20 0.52
ESR2 Q92731 1/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 4/20 0.47
MAP3K5 Q99683 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BACE1 P56817 2/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
IGF1R P08069 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL31553210 0.90 NPC1 (0.50) MAPTNR1H2TMPRSS2ESR2NPC1
SCHEMBL23701095 0.81 NPC1 (0.56) MAPTTMPRSS2NPC1KMT2ATSHR
SCHEMBL30014687 0.81 NPC1 (0.56) MAPTTMPRSS2NPC1KMT2ATSHR
SCHEMBL6438594 0.80 NR1H2 (0.70) MAPTNR1H2ESR2NPC1TSHR
SCHEMBL30390692 0.80 NR1H2 (0.70) MAPTNR1H2ESR2NPC1TSHR
SCHEMBL1188497 0.80 ESR2 (0.60) MAPTNR1H2TMPRSS2ESR2NPC1
SCHEMBL31174273 0.79 NR1H2 (0.66) MAPTNR1H2ESR2NPC1KMT2A
SCHEMBL23253800 0.79 NR1H2 (0.52) MAPTNR1H2ESR2NPC1KMT2A
SCHEMBL23538217 0.79 NR1H2 (0.54) MAPTNR1H2ESR2KMT2AMEN1
SCHEMBL30014445 0.79 NR1H2 (0.54) MAPTNR1H2ESR2KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077306-B1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2025-05-07 EP disclosed
US-11992535-B2 Compounds and probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-05-28 US disclosed
US-20210236663-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-08-05 US disclosed
US-20210236663-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-08-05 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 (2 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-20210236663-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 MAPT 4/4885NR1H2 3900/4885TMPRSS2 4240/4885
US-11992535-B2 Compounds and probes for imaging huntingtin protein HTT, HYPK, HSPBP1 MAPT 4/4885NR1H2 3900/4885TMPRSS2 4240/4885

“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.