SCHEMBL21765898

SCHEMBL21765898

COc1cc(NC(=O)CBr)c(OC)cc1NC(=O)CBr

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 4/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
AHR P35869 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL24499459 0.90 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1MAPTGAANPSR1
SCHEMBL3309810 0.87 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL22686966 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTMAPK1AHR
SCHEMBL24499463 0.83 KMT2A (0.55) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL21686042 0.83 MAPT (0.52) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL21765855 0.82 HTT (0.72) SMN1; SMN2ALDH1A1MAPTMAPK1AHR
SCHEMBL2374142 0.82 MEN1 (0.80) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2914361 0.81 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1MAPTMAPK1AHR
SCHEMBL21828753 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL15754270 0.81 LTB4R (0.64) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1

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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 US disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO 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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 SMN1; SMN2 2559/4885ALDH1A1 4780/4885MAPT 3926/4885

“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.