SCHEMBL29209101

SCHEMBL29209101

Cn1cnc(N2Cc3cc(Br)ccc3C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 2/20 0.44
BACE1 P56817 1/20 0.39
BRD4 O60885 1/20 0.37
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37
SRD5A1 P18405 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SLC11A2 P49281 1/20 0.34
CBLB Q13191 1/20 0.34
MAP3K5 Q99683 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
METAP1 P53582 1/20 0.33
NPC1 O15118 1/20 0.33
P2RX7 Q99572 1/20 0.33
TDP2 O95551 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
TNF P01375 1/20 0.32

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
SCHEMBL3846294 0.76 CYP3A4 (0.42) MYLKBACE1SDCBPSDC2KMT2A
SCHEMBL3847373 0.74 NPC1 (0.60) BACE1SDCBPSDC2KMT2AMEN1
SCHEMBL7601380 0.72 NPC1 (0.50) BACE1BRD4SDCBPSDC2KMT2A
SCHEMBL290250 0.72 BRD4 (0.56) BRD4SDCBPSDC2SRD5A1KMT2A
SCHEMBL3051492 0.70 NPC1 (0.65) BACE1SDCBPSDC2KMT2AMEN1
SCHEMBL30885130 0.69 MYLK (0.37) MYLKMAP3K5
SCHEMBL24502689 0.68 BACE1 (0.50) BACE1SDCBPSDC2KMT2AMEN1
SCHEMBL4251115 0.68 PARP1 (0.46) BACE1BRD4SDCBPSDC2KMT2A
SCHEMBL10086523 0.68 NPC1 (0.49) BACE1SDCBPSDC2KMT2AMEN1
SCHEMBL613318 0.67 PIK3CG (0.44) BACE1BRD4SDCBPSDC2KMT2A

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 MYLK 2672/4885BACE1 1003/4885BRD4 3076/4885

“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.