SCHEMBL22013852

SCHEMBL22013852

COc1ccc2c(C)nc(Nc3nc(C)c(C)c(=O)[nH]3)nc2c1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
MAPT P10636 8/20 0.60
KMT2A Q03164 6/20 0.60
RAB9A P51151 5/20 0.60
LMNA P02545 3/20 0.60
NPC1 O15118 3/20 0.60
HTT P42858 2/20 0.60
XBP1 P17861 1/20 0.60
CLK1 P49759 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP2 O95551 1/20 0.57
STAT3 P40763 3/20 0.56
USP2 O75604 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CREBBP Q92793 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
MITF O75030 1/20 0.38

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
SCHEMBL29397236 1.00 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL15840598 0.84 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL19385517 0.75 MAPT (1.00) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL15840824 0.75 STAT3 (0.55) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL22013497 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL31320227 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL28611695 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL22013853 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL28614773 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ARAB9ALMNA
SCHEMBL15840763 0.72 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2025-02-04 US disclosed
EP-3880205-B1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER ROUSSY INST GUSTAVE (FR) 2023-08-30 EP disclosed
EP-3880205-B1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER ROUSSY INST GUSTAVE (FR) 2023-08-30 EP disclosed
CN-113226323-A Madricin derivative compounds, compositions and uses thereof for treating cancer 法国古士塔柏罗斯学院 2021-08-06 CN disclosed
WO-2020099650-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER INSTITUT GUSTAVE ROUSSY (FR) 2020-05-22 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-12213978-B2 Madrasin-derivative compounds, composition and uses thereof for treating cancer PTPRS, PTMS, PTPRC ALDH1A1 1922/4885MAPT 1578/4885KMT2A 3336/4885

“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.