SCHEMBL21572841

SCHEMBL21572841

CNC(=O)c1ccc(-c2nc3cc(OCc4ccc(OC)cn4)ccc3o2)c[n+]1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 11/20 0.44
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 3/20 0.42
LMNA P02545 3/20 0.42
PTGS2 P35354 2/20 0.42
CEPT1 Q9Y6K0 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
CETP P11597 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
UTRN P46939 1/20 0.40

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
SCHEMBL30402449 0.92 HDAC6 (0.45) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL29000631 0.92 HDAC6 (0.45) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL17544254 0.91 HDAC6 (0.44) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL30402527 0.84 HDAC6 (0.48) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL17544324 0.84 HDAC6 (0.48) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL29000641 0.78 PTPN2 (0.42) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL30403155 0.78 PTPN2 (0.42) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL17544227 0.77 APP (0.64) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL30402404 0.77 APP (0.64) HDAC6MAPTTHRBRXFP1LMNA
SCHEMBL17544141 0.77 APP (0.48) HDAC6MAPTTHRBRXFP1LMNA

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
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
US-10479802-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2019-11-19 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-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 HDAC6 95/4885MAPT 8/4885THRB 2552/4885
US-10479802-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 HDAC6 82/4885MAPT 7/4885THRB 2432/4885

“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.