SCHEMBL25183900

SCHEMBL25183900

CC(C)(C)c1cccc(Nc2ccc(CNO)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.44
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ KCNJ6 P48051 1/20 0.42
▸ KCNJ5 P48544 1/20 0.42
▸ KCNJ3 P48549 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ IDH2 P48735 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 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
SCHEMBL31053489 1.00 KIF11 (0.44) KIF11HDAC8HDAC6HDAC3NR1H4
SCHEMBL25183891 0.84 CA1 (0.49) HDAC8HDAC6HDAC3NR1H4
SCHEMBL21252630 0.80 KIF11 (0.56) KIF11HDAC8HDAC6HDAC3MAPK14
SCHEMBL30365006 0.80 KIF11 (0.56) KIF11HDAC8HDAC6HDAC3MAPK14
SCHEMBL29514710 0.80 KIF11 (0.54) KIF11HDAC8HDAC6HDAC3KCNJ6
SCHEMBL21625856 0.80 KIF11 (0.54) KIF11HDAC8HDAC6HDAC3KCNJ6
SCHEMBL3398439 0.78 ALDH1A1 (0.60) KIF11HDAC8HDAC6HDAC3KCNJ6
SCHEMBL25195015 0.77 RAPGEF4 (0.43) HDAC8HDAC6HDAC3NR1H4THRB
SCHEMBL25195421 0.76 IDO1 (0.67) MAPK14THRBIDO1GAAMAPT
SCHEMBL12266446 0.76 MAPT (0.53) KIF11HDAC8HDAC6HDAC3ABCG2

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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 — — 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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 KIF11 3762/4885HDAC8 1707/4885HDAC6 1769/4885

“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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