SCHEMBL29209072

SCHEMBL29209072

COCCOCCN1Cc2cc(Br)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
AOC3 Q16853 2/20 0.39
DRD2 P14416 1/20 0.38
DRD5 P21918 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 2/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
BRD4 O60885 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30434602 0.92 PARP1 (0.45) PARP1AOC3PRMT5WDR77ALDH1A1
SCHEMBL2144299 0.92 PARP1 (0.45) PARP1AOC3PRMT5WDR77ALDH1A1
SCHEMBL28608040 0.87 PRMT5 (0.39) DRD2DRD5HTR7DRD3PRMT5
SCHEMBL18765603 0.81 PARP1 (0.45) PARP1ALDH1A1KDM4EHSD17B10HTT
SCHEMBL1500127 0.79 PRF1 (0.44) PARP1PRMT5WDR77KDM4EHDAC6
SCHEMBL1500259 0.77 AOC3 (0.47) AOC3PRMT5WDR77ALDH1A1KDM4E
SCHEMBL2504781 0.77 GRM5 (0.46) DRD2DRD5HTR7DRD3PRMT5
SCHEMBL30512969 0.77 DUT (0.37) PRMT5WDR77ALDH1A1KDM4EHDAC6
SCHEMBL18145592 0.76 PRMT5 (0.42) PRMT5WDR77KDM4EHDAC6SDCBP
SCHEMBL3045977 0.76 PRMT5 (0.45) PARP1PRMT5WDR77ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 PARP1 1706/4885AOC3 1724/4885DRD2 4684/4885

“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.