SCHEMBL21572848

SCHEMBL21572848

COc1ccc(COc2ccc3oc(-c4ccc[n+](OC)c4)nc3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 6/20 0.41
PTPN2 P17706 4/20 0.41
PTPN1 P18031 4/20 0.41
PTPN5 P54829 4/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL30403155 0.89 PTPN2 (0.42) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL29000641 0.89 PTPN2 (0.42) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL29681323 0.89 PTPN2 (0.42) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL17544622 0.89 PTPN2 (0.42) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL23633322 0.83 SMN1; SMN2 (0.58) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL17544356 0.83 MAPT (0.55) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL30402272 0.83 MAPT (0.55) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL29681162 0.83 MAPT (0.55) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL17544004 0.82 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL17544189 0.81 HSD17B10 (0.44) ALDH1A1HPGDHSD17B10RAB9ASMN1; 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
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 ALDH1A1 3976/4885HPGD 2107/4885HSD17B10 966/4885
US-10479802-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 ALDH1A1 3949/4885HPGD 2117/4885HSD17B10 883/4885

“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.