SCHEMBL25560285

SCHEMBL25560285

N#Cc1ccc(Br)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 4/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
STAT3 P40763 1/20 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
SCHEMBL27972971 0.89 ALDH1A1 (0.50) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL6352002 0.84 ALDH1A1 (0.50) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL551104 0.83 MRGPRX4 (0.52) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL257907 0.81 TDP1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL9930926 0.81 MRGPRX4 (0.50) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL30294840 0.80 TSHR (0.46) ALDH1A1TDP1KMT2ATSHRL3MBTL1
SCHEMBL5332234 0.80 TDP1 (0.60) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL22852763 0.80 TSHR (0.46) ALDH1A1TDP1KMT2ATSHRL3MBTL1
SCHEMBL10253536 0.79 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL19334199 0.79 ALDH1A1 (0.54) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 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-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 ALDH1A1 4554/4885TDP1 956/4885SLC6A2 4859/4885

“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.