SCHEMBL21979989

SCHEMBL21979989

CC(=O)Nc1c(C)cc(Br)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 3/20 0.44
PTPRB P23467 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MAPT P10636 2/20 0.42
KCNJ11 Q14654 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL31218457 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL1601877 0.90 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL6354671 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKCNJ11
SCHEMBL28383668 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDTAS1R3
SCHEMBL28817153 0.80 HPGD (0.51) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL25096707 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL30254447 0.79 ALDH1A1 (0.41) ALDH1A1HPGDTAS1R3TAS1R1TAS1R2
SCHEMBL23885497 0.79 ALDH1A1 (0.41) ALDH1A1HPGDTAS1R3TAS1R1TAS1R2
SCHEMBL11619402 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDPTPRB
SCHEMBL8528629 0.78 AKR1C3 (0.52) ALDH1A1MEN1KMT2AHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384789-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP disclosed
EP-4151627-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-03-22 EP disclosed
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2022-08-11 US disclosed
US-11407753-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2020-05-28 US disclosed
CN-111065626-A Compounds for the treatment of huntington's chorea PTC医疗公司 2020-04-24 CN 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 (4 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-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH ALDH1A1 1524/4885MEN1 1629/4885KMT2A 1146/4885
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH ALDH1A1 1524/4885MEN1 1629/4885KMT2A 1146/4885
US-11407753-B2 Compounds for treating Huntington's disease HTT, HYPK, FH ALDH1A1 1524/4885MEN1 1629/4885KMT2A 1146/4885
US-12384789-B2 Compounds for treating Huntington's disease HTT, HYPK, FH ALDH1A1 1524/4885MEN1 1629/4885KMT2A 1146/4885

“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.