SCHEMBL25667602

SCHEMBL25667602

COc1cccc2[nH]c(C(=O)n3ccnc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.59
IDO1 P14902 2/20 0.56
FLT3 P36888 2/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
RCE1 Q9Y256 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46

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
SCHEMBL30310735 0.78 HRH4 (0.76) HRH4IDO1FLT3KMT2AMEN1
SCHEMBL24020743 0.78 HRH4 (0.76) HRH4IDO1FLT3KMT2AMEN1
SCHEMBL913914 0.76 FLT3 (0.68) HRH4IDO1FLT3KMT2AMEN1
SCHEMBL29414307 0.76 FLT3 (0.68) HRH4IDO1FLT3KMT2AMEN1
SCHEMBL7979026 0.76 FLT3 (0.68) HRH4IDO1FLT3KMT2AMEN1
SCHEMBL12428148 0.75 ALDH1A1 (0.58) HRH4FLT3KMT2AMEN1POLB
SCHEMBL6396188 0.75 FLT3 (0.54) HRH4IDO1FLT3DRD2DRD3
SCHEMBL217459 0.74 FLT3 (0.66) HRH4IDO1FLT3KMT2AMEN1
SCHEMBL24447653 0.74 FLT3 (0.66) HRH4IDO1FLT3KMT2AMEN1
SCHEMBL24113092 0.74 FLT3 (0.66) HRH4IDO1FLT3KMT2AMEN1

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-20230167058-A1 GPX4 COMPOUNDS AND COMPOSITIONS AND METHODS OF TREATMENT USING SAME THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 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-20230167058-A1 GPX4 COMPOUNDS AND COMPOSITIONS AND METHODS OF TREATMENT USING SAME GPX4, GPX1, AIFM2 HRH4 2426/4885IDO1 2654/4885FLT3 2232/4885

“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.