SCHEMBL24408330

SCHEMBL24408330

CN(CC(=O)OCc1ccccc1)c1cn[nH]c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ SLC15A1 P46059 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL28614171 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL24408262 0.77 MEN1 (0.41) MAPTKMT2AMEN1CTSLCTSB
SCHEMBL28310022 0.74 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL16285813 0.72 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL17730705 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTKMT2A
SCHEMBL14586581 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377215 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377212 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL19726788 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL24966566 0.71 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 — — 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 ALDH1A1 316/4885MAPK1 3235/4885L3MBTL1 3603/4885

“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.

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